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Molecule Identifiers
Molecular Properties

ID: 32131

SMILES:
C1(C2c3c(O)cc(CCCC)cc3OC2(C)C)=C(C)CCC2C(C)(C)CCCC12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.642

CB1 binding score: -14.122

InChIKey:
AOHORRKIZIDUOP-UHFFFAOYSA-N

ID: 32132

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCCC)c2)C2CC(C(C)=C)CCC21O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -15.717

InChIKey:
LZGOWCDRBAFCCO-UHFFFAOYSA-N

ID: 32133

SMILES:
c1(C(=O)OCC2=CC3C(C(C)C)C(=O)CC(C)C34c3c(cc(CCCCC)cc3O)OC(C)(CC4)C2)oc2c(c(O)cc(O)c2)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 630.778

CB1 binding score: Not available

InChIKey:
OYGCTBDDNILESU-UHFFFAOYSA-N

ID: 32134

SMILES:
C1C(C)(C)C2C(OC(=O)N)C=C(C)CC2c2c(OC)cc(CCCCC)cc21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 385.548

CB1 binding score: -16.16

InChIKey:
KIWAWKXWEBVTGL-UHFFFAOYSA-N

ID: 32135

SMILES:
C(C=C(C)C)c1c(O)c2c(c(C(O)=O)c1CCCCC)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -13.38

InChIKey:
SAYCYMHCWXQJRP-UHFFFAOYSA-N

ID: 32136

SMILES:
C1C(C)(CCC=C(C)C)C(O)Cc2c(O)cc(C)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -15.072

InChIKey:
IILMMKGTMIODFT-UHFFFAOYSA-N

ID: 32137

SMILES:
C1(C(C)=C)C(c2c(O)cc(CCC)cc2O)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 32138

SMILES:
CC(C)C1C(c2c(O)cc(CCCC)cc2O)CC(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.474

CB1 binding score: -17.195

InChIKey:
YTKASQHCCXXSEW-UHFFFAOYSA-N

ID: 32139

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2(CC(O)C3C(C)(C)CCCC23C)C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -14.192

InChIKey:
BZECLWSSLCIMLR-UHFFFAOYSA-N

ID: 32140

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 32141

SMILES:
C(C(OC)=O)C1C(C)(C)C2c3c(cc(CCCCC)cc3O1)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -14.621

InChIKey:
QCLFXXHAPDCBAA-UHFFFAOYSA-N

ID: 32142

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(C(C)(O)C)CCC(C)C12)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -13.26

InChIKey:
DKZBXXVSYHHHMS-UHFFFAOYSA-N

ID: 32143

SMILES:
CCCCCc1cc2c(c(O)c1)C1CC(C)(O1)CC2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -16.489

InChIKey:
QHYAZRRBEMUIOF-UHFFFAOYSA-N

ID: 32144

SMILES:
C1=C(C)CCC2C(C)(C)Oc3cc(CCc4ccccc4)c(O)c4c3C2C1C(C)(C)O4

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.577

CB1 binding score: -13.406

InChIKey:
CYNPNMQODIOSEQ-UHFFFAOYSA-N

ID: 32145

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCCCCCC)c2)-c2c1c1c(cc2)OCO1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.527

CB1 binding score: -13.636

InChIKey:
VPQFGQIESCWYNY-UHFFFAOYSA-N

ID: 32146

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(C(=O)O)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -20.052

InChIKey:
YOVRGSHRZRJTLZ-UHFFFAOYSA-N

ID: 32147

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C=C(C)CCC2C1=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -16.782

InChIKey:
CPUOYVAXKAXEDL-UHFFFAOYSA-N

ID: 32148

SMILES:
C1(C)(C)C(=O)C(C(CC(CC)C)c2c(O)c(C(O)=O)c(CCCCC)cc2O)=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 444.612

CB1 binding score: -14.468

InChIKey:
QXFSFJYCMOHKBE-UHFFFAOYSA-N

ID: 32149

SMILES:
c1(O)cc(CCCC)c(O)c(CC=C(C)CCC=C(C)C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -18.19

InChIKey:
JLDQAMHHOUWHJX-UHFFFAOYSA-N

ID: 32150

SMILES:
C(CC1(C)CCc2c(C)cc(O)c(C)c2O1)=C(CCCc1coc2c1cc(O)cc2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.549

CB1 binding score: -16.16

InChIKey:
DEOSHGDHSDMBER-UHFFFAOYSA-N

ID: 32151

SMILES:
C(CCCc1cc(O)c(CC=C(C)C)c(O)c1C(=O)C)CCCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -15.776

InChIKey:
XMSQPZNLKIIQEO-UHFFFAOYSA-N

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32131–32151 of 773808 items

Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties