Natural Products

Cas#: 25990-37-8        Compound CID:  100017

Formula:  C₂₇H₃₀O₇        Molecular Weight: 466.52

IUPAC Name: methyl 2-[6-(furan-3-yl)-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate

SMILES: CC1=C2C(CC1C3=COC=C3)OC4C2(C(C5(C6C4OC(=O)C6(C=CC5=O)C)C)CC(=O)OC)C

InChIKey: JZIQWNPPBKFOPT-UHFFFAOYSA-N

InChI: InChI=1S/C27H30O7/c1-13-15(14-7-9-32-12-14)10-16-20(13)27(4)17(11-19(29)31-5)26(3)18(28)6-8-25(2)22(26)21(23(27)33-16)34-24(25)30/h6-9,12,15-17,21-23H,10-11H2,1-5H3

Cas#: 7785-33-3        Compound CID:  5367785

Formula:  C₁₅H₂₄O₂        Molecular Weight: 236.36

IUPAC Name: [(2E)-3,7-dimethylocta-2,6-dienyl] (E)-2-methylbut-2-enoate

SMILES: CC=C(C)C(=O)OCC=C(C)CCC=C(C)C

InChIKey: OGHBUHJLMHQMHS-KRDNBFTESA-N

InChI: InChI=1S/C15H24O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,10H,7,9,11H2,1-5H3/b13-10+,14-6+

Cas#: 55306-03-1        Compound CID:  124214

Formula:  C₃₀H₄₈O₆        Molecular Weight: 504.7

IUPAC Name: (1S,4aR,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1O)C)C(=O)O)C

InChIKey: IFIQVSCCFRXSJV-GOVAGAJPSA-N

InChI: InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-20-26(3)15-18(32)22(33)27(4,16-31)19(26)9-10-29(20,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19-,20-,21-,22+,23+,26+,27-,28-,29-,30+/m1/s1

Cas#: 18016-80-3        Compound CID:  28864

Formula:  C₂₀H₂₆N₄O        Molecular Weight: 338.45

IUPAC Name: 3-[(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea

SMILES: CCN(CC)C(=O)NC1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C

InChIKey: BKRGVLQUQGGVSM-KBXCAEBGSA-N

InChI: InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1

Cas#: 144-39-8        Compound CID:  61098

Formula:  C₁₃H₂₂O₂        Molecular Weight: 210.32

IUPAC Name: 3,7-dimethylocta-1,6-dien-3-yl propanoate

SMILES: CCC(=O)OC(C)(CCC=C(C)C)C=C

InChIKey: WAQIIHCCEMGYKP-UHFFFAOYSA-N

InChI: InChI=1S/C13H22O2/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3

Cas#: 58749-22-7        Compound CID:  5318998

Formula:  C₂₁H₂₂O₄        Molecular Weight: 338.4

IUPAC Name: (E)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one

SMILES: CC(C)(C=C)C1=C(C=C(C(=C1)C=CC(=O)C2=CC=C(C=C2)O)OC)O

InChIKey: KAZSKMJFUPEHHW-DHZHZOJOSA-N

InChI: InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+

Cas#: 6879-59-0        Compound CID:  5324492

Formula:  C₁₈H₂₂N₂O₂        Molecular Weight: 298.38

IUPAC Name: [(6aR,9R,10S,10aR)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-10-yl] acetate

SMILES: CC1CN(C2CC3=CNC4=CC=CC(=C34)C2C1OC(=O)C)C

InChIKey: GJSSYQDXZLZOLR-ONUGHKICSA-N

InChI: InChI=1S/C18H22N2O2/c1-10-9-20(3)15-7-12-8-19-14-6-4-5-13(16(12)14)17(15)18(10)22-11(2)21/h4-6,8,10,15,17-19H,7,9H2,1-3H3/t10-,15-,17-,18+/m1/s1

Cas#: 15291-77-7        Compound CID:  65243

Formula:  C₂₀H₂₄O₁₀        Molecular Weight: 424.4

IUPAC Name: 8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione

SMILES: CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O

InChIKey: SQOJOAFXDQDRGF-UHFFFAOYSA-N

InChI: InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3

Cas#: 315-22-0        Compound CID:  9415

Formula:  C₁₆H₂₃NO₆        Molecular Weight: 325.36

IUPAC Name: (1R,4R,5R,6R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione

SMILES: CC1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)O)(C)O

InChIKey: QVCMHGGNRFRMAD-XFGHUUIASA-N

InChI: InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-/m0/s1

Cas#: 2469-34-3        Compound CID:  12442762

Formula:  C₃₀H₄₅ClO₆        Molecular Weight: 537.13

IUPAC Name: (2S,3R,4S,4aR,6aR,8aS,12aS,13S,14aR,14bR)-13-(chloromethyl)-2,3-dihydroxy-4,6a,11,11,14b-pentamethyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picene-4,8a-dicarboxylic acid

SMILES: CC1(CCC2(CCC3=C(C2C1)C(CC4C3(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)CCl)C(=O)O)C

InChIKey: CWHJIJJSDGEHNS-MYLFLSLOSA-N

InChI: InChI=1S/C30H45ClO6/c1-26(2)10-11-30(25(36)37)9-6-17-22(18(30)13-26)16(15-31)12-21-27(17,3)8-7-20-28(21,4)14-19(32)23(33)29(20,5)24(34)35/h16,18-21,23,32-33H,6-15H2,1-5H3,(H,34,35)(H,36,37)/t16-,18+,19+,20-,21+,23+,27+,28+,29+,30-/m1/s1

Cas#: 114281-19-5        Compound CID:  3082686

Formula:  C₆₆H₁₁₉N₂₁O₁₉S        Molecular Weight: 1542.85

IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-3-hydroxy-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[2-[[(2S,3S)-3-methyl-2-[[(2S)-4-methylsulfanyl-2-[[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetyl]amino]butanoyl]amino]pentanoyl]amino]acetyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]butanoyl]amino]propanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]pentanediamide

SMILES: CCC(C)C(C(=O)NCC(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)CC)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)N)NC(=O)C(CCSC)NC(=O)CNC(=O)C1CCC(=O)N1

InChIKey: LDCPZBREJGHLQM-MUFHBRNXSA-N

InChI: InChI=1S/C66H119N21O19S/c1-10-34(5)50(85-59(100)43(24-28-107-9)77-48(93)30-74-55(96)42-21-23-47(92)76-42)62(103)75-31-49(94)84-52(36(7)89)64(105)82-44(29-33(3)4)60(101)87-53(37(8)90)65(106)83-45(32-88)61(102)80-39(17-12-14-25-67)57(98)79-41(19-16-27-73-66(71)72)58(99)86-51(35(6)11-2)63(104)81-40(18-13-15-26-68)56(97)78-38(54(70)95)20-22-46(69)91/h33-45,50-53,88-90H,10-32,67-68H2,1-9H3,(H2,69,91)(H2,70,95)(H,74,96)(H,75,103)(H,76,92)(H,77,93)(H,78,97)(H,79,98)(H,80,102)(H,81,104)(H,82,105)(H,83,106)(H,84,94)(H,85,100)(H,86,99)(H,87,101)(H4,71,72,73)/t34-,35-,36+,37+,38-,39-,40-,41-,42-,43-,44-,45-,50-,51-,52-,53-/m0/s1