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Molecule Identifiers
Molecular Properties

ID: 73585

SMILES:
CC(C1CC(O)C(C)=CC2c3c(O)cc(C)cc3OC(C)(C)C(CC2)C1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -15.929

InChIKey:
CFNTZYFEJNFPEP-UHFFFAOYSA-N

ID: 73586

SMILES:
c1(C)cc(O)c2cc3c(cc2c1)OC(C)(C)C1CC=C(C)CC13

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 308.421

CB1 binding score: -14.271

InChIKey:
VLDKWQSULTWWRA-UHFFFAOYSA-N

ID: 73587

SMILES:
c1(O)c2c(c(O)c(OC)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -18.436

InChIKey:
CHKCVHCTDJBPRD-UHFFFAOYSA-N

ID: 73588

SMILES:
C1(O)C2C(C)(C)CCC3C(C2C)(c2c(cc(CCC)cc2O)O3)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -15.087

InChIKey:
RRVXVCBHPAKBSN-UHFFFAOYSA-N

ID: 73589

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 73590

SMILES:
CC(=CCc1c(O)c2c(c(CC=C(C)C)c1)OC(C)(C)C1C2C=C(C(=O)OC)CC1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.581

CB1 binding score: -15.116

InChIKey:
RKVMEADNMGOKGJ-UHFFFAOYSA-N

ID: 73591

SMILES:
C1CC2C(O)(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CCC1(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -15.078

InChIKey:
RPKCTWVQLQMXCQ-UHFFFAOYSA-N

ID: 73592

SMILES:
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCc3c(cc-3)C(C)(C)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.545

CB1 binding score: -15.609

InChIKey:
CBQHSBCRIOVGKR-UHFFFAOYSA-N

ID: 73593

SMILES:
C1CCC2(c3c(OC(=O)C)cc(CCCCC)cc3OC2(C)C)C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.467

InChIKey:
GMDAWTCGXAJEGY-UHFFFAOYSA-N

ID: 73594

SMILES:
CC1(C)Oc2c(c(OC)cc(CCCCC)c2)C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.348

InChIKey:
FJRQDVCLUUZSIG-UHFFFAOYSA-N

ID: 73595

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(CCC1C(C)(C)O1)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.88

InChIKey:
YOKGZPDJGXKSEW-UHFFFAOYSA-N

ID: 73596

SMILES:
C(C)(=CCC1C(C)(C)Oc2cc(C)cc(O)c21)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.628

InChIKey:
IMKSHQMOYUWPKB-UHFFFAOYSA-N

ID: 73597

SMILES:
c1(CCOC(C(C)C)=O)cc(OC)c(C2C(C(C)=C)CC=C(C)C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -17.116

InChIKey:
MEXJAEMGPOKGSM-UHFFFAOYSA-N

ID: 73598

SMILES:
Cc1ccc2c(c1)-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 73599

SMILES:
C(C)CCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -20.03

InChIKey:
LXMICYYYVWWGAM-UHFFFAOYSA-N

ID: 73600

SMILES:
C(C)CCCCc1cc2c(c(O)c1)OC(C)(C)C1C2CC(COC(Cc2ccc(O)cc2)=O)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.629

CB1 binding score: -15.358

InChIKey:
TUPYBEJTMCQFJD-UHFFFAOYSA-N

ID: 73601

SMILES:
CC1=CC(c2cc(C(=O)OC)ccc2O)C(C(=C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -18.003

InChIKey:
VPSWYBOTFPOXLO-UHFFFAOYSA-N

ID: 73602

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -18.365

InChIKey:
WVOLTBSCXRRQFR-UHFFFAOYSA-N

ID: 73603

SMILES:
C1=C(C)CC2c3c(O)cc(CCC)cc3OC1(C(=C)C)C(OC(=O)C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -12.287

InChIKey:
OJFJAZCBEOXYLL-UHFFFAOYSA-N

ID: 73604

SMILES:
C(=C(C)C)CCC(C)=CCCC1(C)C=Cc2c(c(C(=O)O)c(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -17.162

InChIKey:
PGVJJUPQKXOMLX-UHFFFAOYSA-N

ID: 73605

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

3502350335043505350635073508
73585–73605 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