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Molecule Identifiers
Molecular Properties

ID: 83938

SMILES:
CC1CC=C(C)C(O)(Cc2c(O)c(C(OC)=O)cc(CCCCC)c2)C1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: Not available

InChIKey:
OXTNMVTVYYVXMB-UHFFFAOYSA-N

ID: 83939

SMILES:
c1c(O)c2c(c3c1OC(CCC=C(C)C)(C)C=C3)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.555

CB1 binding score: -16.816

InChIKey:
KLMLZMFOQHGWAE-UHFFFAOYSA-N

ID: 83940

SMILES:
C(c1c(O)c(CC=C(C)C=CC=C(C)CCC=C(C)C)cc(O)c1)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.714

InChIKey:
NWNOAQNFGBZWJS-UHFFFAOYSA-N

ID: 83941

SMILES:
c1(O)c2c(c(O)cc1C)C1C(C(C)(C)O2)CC=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -16.1

InChIKey:
QFYXEEBWHYWRTG-UHFFFAOYSA-N

ID: 83942

SMILES:
Oc1ccc2c(c1)OC(C)(C)C1CCC(CS)=CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.401

CB1 binding score: -15.587

InChIKey:
MQEDNIVBMCAGPF-UHFFFAOYSA-N

ID: 83943

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 83944

SMILES:
c1cc2c(c(C)c1)-c1c(cc(C)cc1OC)OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 268.356

CB1 binding score: -15.358

InChIKey:
JUPQZLHJTSMVEQ-UHFFFAOYSA-N

ID: 83945

SMILES:
C1CC(C(C)=C)C(Cc2cc(OC)cc(C)c2)C1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.432

CB1 binding score: -14.632

InChIKey:
OAMIPMLBSQKYFO-UHFFFAOYSA-N

ID: 83946

SMILES:
c1c(C2C=C(C)CCC2C(=C)C)c(O)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -20.171

InChIKey:
HFDMGJLGHZDMNB-UHFFFAOYSA-N

ID: 83947

SMILES:
O=C(CC1(C)Oc2c(c(O)cc(CCCCC)c2)C(O)C1O)O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.373

CB1 binding score: -16.615

InChIKey:
QQPMAKLFARAHRD-UHFFFAOYSA-N

ID: 83948

SMILES:
O(CC=C(C)C)C(=O)c1cc(OC)c2c(c1)OC(C)(C)C1C2CC(C=O)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.472

CB1 binding score: -13.971

InChIKey:
ZZVYFTTUYIZEDS-UHFFFAOYSA-N

ID: 83949

SMILES:
C1(CC)CC(C)=CC2c3c(O)cc(C)cc3OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -14.156

InChIKey:
OQSUPDOSOMKMQT-UHFFFAOYSA-N

ID: 83950

SMILES:
c1(O)c2c(cc(CCCCC)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: 83951

SMILES:
Oc1c(C2C=C(C)CCC2C(C)=C)cc(C(CCCO)=O)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -16.424

InChIKey:
JRHQTSDRTSHYNA-UHFFFAOYSA-N

ID: 83952

SMILES:
C12C=C(C)CCC1C(C)(C)Oc1cc(C)ccc12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -19.037

InChIKey:
TWNNHTGNOPUEHO-UHFFFAOYSA-N

ID: 83953

SMILES:
C1(C(C)=C)CCC(C)=CC1c1c(CCCCC)cc(O)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.677

InChIKey:
YWEZXUNAYVCODW-UHFFFAOYSA-N

ID: 83954

SMILES:
C1C(C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 234.339

CB1 binding score: -18.796

InChIKey:
BFFUWWHIAIGFJU-UHFFFAOYSA-N

ID: 83955

SMILES:
C1c2c(O)cc(CCCCC)cc2OC(C)(C)C1CC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.42

CB1 binding score: -15.446

InChIKey:
CPTZFBAOFLRBAG-UHFFFAOYSA-N

ID: 83956

SMILES:
C(=C(C)C)CCC(=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)OC(C)(C)C1CC=C(C)CC21)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 462.674

CB1 binding score: -8.831

InChIKey:
PJUDRFKUVOQFPN-UHFFFAOYSA-N

ID: 83957

SMILES:
C=C(C1COc2c(c(O)cc(CCCC)c2)C1CC=C(CCC=C(C)C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -15.754

InChIKey:
WOGWRJWHVWDESX-UHFFFAOYSA-N

ID: 83958

SMILES:
O1c2c(c(OC)cc(C)c2)C2CC(C(C)CCC=C(C)C)C3(C(=O)OC)C12O3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -15.78

InChIKey:
BVOUXNKQCGNOGR-UHFFFAOYSA-N

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83938–83958 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