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Molecule Identifiers
Molecular Properties

ID: 79927

SMILES:
C1C2(C)Oc3c(c(O)cc(CCCCC)c3)C3C2C(O)(C(=C)CCC3C(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -13.986

InChIKey:
QBZWLSLIQRNPFH-UHFFFAOYSA-N

ID: 79928

SMILES:
CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C(O)=O)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -17

InChIKey:
CGYHWLVCHKZQHO-UHFFFAOYSA-N

ID: 79929

SMILES:
C1(C)=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 79930

SMILES:
C1=C(C)CCC2C1c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 79931

SMILES:
C(C(c1c2c(c(O)cc1OC)C1C=C(C)CCC1C(C)(C)O2)CC(CCC=C(C)C)(C)O)C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 496.732

CB1 binding score: -16.672

InChIKey:
KZUSFFWMHZDXNY-UHFFFAOYSA-N

ID: 79932

SMILES:
C12(C(=O)C(C)(C)O)c3c(cc(CCCCC)cc3O1)OC(C)(C)C(O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.466

CB1 binding score: -14.953

InChIKey:
GGQAWISCUMBMJP-UHFFFAOYSA-N

ID: 79933

SMILES:
C12(C)Oc3c(c(O)cc(CCCCC)c3)C3C(C)(C)C3C1(O)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -14.111

InChIKey:
KXFAYAPRTFIPQP-UHFFFAOYSA-N

ID: 79934

SMILES:
C1C2c3c(cc(CCCC)cc3O)OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -17.264

InChIKey:
HZRZOWVUCBCVBJ-UHFFFAOYSA-N

ID: 79935

SMILES:
c1(CCCCC)cc2c(c(OC)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.348

InChIKey:
FJRQDVCLUUZSIG-UHFFFAOYSA-N

ID: 79936

SMILES:
Oc1c2c(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: 79937

SMILES:
C1(C(=C)C)C(c2c(O)cc(CC)cc2O)CC(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -14.69

InChIKey:
YCVHKVZCYCAKQV-UHFFFAOYSA-N

ID: 79938

SMILES:
C1(C)=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -20.121

InChIKey:
PJBASZVNRDGSFZ-UHFFFAOYSA-N

ID: 79939

SMILES:
N(CCc1cc(O)c2c(c1)OC1(C(O)C3C(C(C)=C)CCC(C)C34CC=C(C)C14)O2)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 439.596

CB1 binding score: -13.283

InChIKey:
FUBXMKSIUXGZNN-UHFFFAOYSA-N

ID: 79940

SMILES:
O=C(Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)CC1c1c(O)c(C=O)c(O)c(C=O)c1O)C=CC(C(C)C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 622.755

CB1 binding score: -14.245

InChIKey:
CCDANTLSWJSHCE-UHFFFAOYSA-N

ID: 79941

SMILES:
C1C(O)C(C)(C)C2C(C(=O)O)(c3c(OC(=O)C)cc(CCCCC)cc3O2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.476

CB1 binding score: -13.57

InChIKey:
WKSHBTVFELOUBG-UHFFFAOYSA-N

ID: 79942

SMILES:
C=C1CC2OC(=O)C(=C2)CCC2C(C)(C)Oc3cc(C)c(C#C)c(CCCCC)c3C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.577

CB1 binding score: -15.434

InChIKey:
UONQSYNPIUDANO-UHFFFAOYSA-N

ID: 79943

SMILES:
ClCCc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.833

CB1 binding score: -18.673

InChIKey:
GYFBNACJWSOJSG-UHFFFAOYSA-N

ID: 79944

SMILES:
C(C)(C)=CC(C1c2c(O)cc(CCCCC)cc2OC(C)(C)C1O)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -17.103

InChIKey:
AVVDRCOQFBMVMB-UHFFFAOYSA-N

ID: 79945

SMILES:
CC(C)C1(OC(C=Cc2ccccc2)=O)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 462.63

CB1 binding score: -16.448

InChIKey:
LAKNLLUUNYKVGQ-UHFFFAOYSA-N

ID: 79946

SMILES:
CC1(C)CC(c2c(O)cc(CCCCC)cc2O)C=C2C(C(C)(C)O1)CCC2CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.602

CB1 binding score: -13.893

InChIKey:
QRZBJPQWSIASOX-UHFFFAOYSA-N

ID: 79947

SMILES:
CC1(C)OC2(CC=C(C)C)Oc3c(c(O)cc(CCCCCC)c3)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -15.333

InChIKey:
SFDZXZJQEQZZBI-UHFFFAOYSA-N

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79927–79947 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