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Molecule Identifiers
Molecular Properties

ID: 78562

SMILES:
C(CCCC)c1cc2c(cc1O)OC(CCC1=C(C)CCC(O)C1(C)C)(C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -13.023

InChIKey:
XXEWUAUJEJGDCW-UHFFFAOYSA-N

ID: 78563

SMILES:
C(=C(C)CCC=C(C)C)CCC(C)=CC1Oc2c(c(O)cc(CCCC)c2)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -10.631

InChIKey:
SYBLNOZDLPALQP-UHFFFAOYSA-N

ID: 78564

SMILES:
C(CCC(=CCCC(C)=CCc1c(O)cc(CCc2ccccc2)cc1O)C)=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.621

CB1 binding score: -19.13

InChIKey:
IWSASXREQYAISF-UHFFFAOYSA-N

ID: 78565

SMILES:
O1C2(C)CC13C(CCC2C)C(C)(C)Oc1c(c(C)cc(O)c1)C3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -14.776

InChIKey:
LUUIOTASQCUDGV-UHFFFAOYSA-N

ID: 78566

SMILES:
C1C2(Cc3c(O)cc(C(C)(O)CCC)cc3O2)C(C)C(C)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.429

CB1 binding score: -14.268

InChIKey:
CEWRTADXSBWDAW-UHFFFAOYSA-N

ID: 78567

SMILES:
CCC(CCCC(=CCc1c(O)cc(C)cc1O)C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 344.539

CB1 binding score: -14.886

InChIKey:
WKYSGEJZYAYXMH-UHFFFAOYSA-N

ID: 78568

SMILES:
Oc1cc(CCCCC)cc2c1C1CC(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 78569

SMILES:
CC1(C)Oc2c(CC=C(C)CCC=C(C)C)c(O)cc(CCCCC)c2C(=O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -12.769

InChIKey:
NAPVITOMNBPMDK-UHFFFAOYSA-N

ID: 78570

SMILES:
C(C)(=CCCC(=CCc1c(O)cc(CCC)cc1O)C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 356.55

CB1 binding score: -18.934

InChIKey:
LDZQKZLPWVBJOB-UHFFFAOYSA-N

ID: 78571

SMILES:
C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C13C(C(CO)CC1)C3O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -15.195

InChIKey:
XPPLEFJGLGORCD-UHFFFAOYSA-N

ID: 78572

SMILES:
Oc1c2c(c(C(=O)CCC(C)C)c(O)c1)OC(C)(C)C1C2C=C(C)C(=O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -11.793

InChIKey:
BKYSAUKCZQDLLC-UHFFFAOYSA-N

ID: 78573

SMILES:
C(C)(CCC=C(C)C)=CCc1c(O)c2c(c(C=O)c1O)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 424.581

CB1 binding score: -16.234

InChIKey:
HJNGOYRIJBCZBM-UHFFFAOYSA-N

ID: 78574

SMILES:
CCCc1c(O)ccc(C2C(C(=C)C)CCC(C)=C2)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -15.738

InChIKey:
VCOQBAIJPLDKAC-UHFFFAOYSA-N

ID: 78575

SMILES:
C1(C)=CC2c3c(cc4c(c3OC1c1ccc(O)cc1)OC4C(C(C)C)=O)OC(C)(C)C2C=CC(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 486.608

CB1 binding score: -11.751

InChIKey:
UHKSGIJIESEXQY-UHFFFAOYSA-N

ID: 78576

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.196

InChIKey:
HQWTZGLRGCSGTB-UHFFFAOYSA-N

ID: 78577

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 78578

SMILES:
CC(=C)C1[CH]CC(C)=CC1c1c(OC)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 327.488

CB1 binding score: -15.181

InChIKey:
AKORNBGPDUGAQF-UHFFFAOYSA-N

ID: 78579

SMILES:
C(=O)(C(N)CCC(c1c2c(c(O)c(C(=O)CC(C)C)c1O)OC(C)(C)C1C2C=C(C)CC1)OC)c1ccccc1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 549.708

CB1 binding score: -16.136

InChIKey:
RZKZBFAWDYCKFT-UHFFFAOYSA-N

ID: 78580

SMILES:
C(C)(=CCc1c(O)c(C(=O)O)c(CCC)cc1O)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -19.667

InChIKey:
FAVCTJGKHFHFHJ-UHFFFAOYSA-N

ID: 78581

SMILES:
c1(OC)c2c(cc(CCCCC)c1)OC(C(C)(O)C)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -16.522

InChIKey:
MMKUTXQSJFJAAU-UHFFFAOYSA-N

ID: 78582

SMILES:
C(CCCCC)c1ccc2c(c1)cc1c(c(=O)c2OC)OC2(C)C1CC(C(C)=C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.593

CB1 binding score: -16.418

InChIKey:
AZOLFTFRMSQSRH-UHFFFAOYSA-N

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78562–78582 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