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Molecule Identifiers
Molecular Properties

ID: 60985

SMILES:
C(=O)(c1c(O)cc2c(c1C=O)OC(C)(C)C1CC=C(C)CC12)OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.38

CB1 binding score: -14.481

InChIKey:
NHQFNDNAJPQFTI-UHFFFAOYSA-N

ID: 60986

SMILES:
c1(CCCC(C)CCCc2coc(C3(C)C(C(=O)C)O3)c2)cc(O)c(O)cc1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -16.249

InChIKey:
ABBRYGAKCBXXND-UHFFFAOYSA-N

ID: 60987

SMILES:
C1=C(C)CCC2C(C)(C)Oc3c(c(O)c(Cc4cocc4)c(C)c3)C2C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.474

CB1 binding score: -16.571

InChIKey:
NVSASGLPIKBSDV-UHFFFAOYSA-N

ID: 60988

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 60989

SMILES:
C(=CC(C)=CC(CC)C(C)=CC)C(=O)c1c2c(c(O)c(C(O)=O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.629

CB1 binding score: -15.959

InChIKey:
RSDYMYFEDDGXOZ-UHFFFAOYSA-N

ID: 60990

SMILES:
CCCCCc1cc2c(c(O)c1)C1C(C1(C)C)C1C(C)(O2)CC(OC(=O)C)C2C(=C)C(=O)OC2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 482.617

CB1 binding score: -14.535

InChIKey:
HFSMEDLVIVEKKA-UHFFFAOYSA-N

ID: 60991

SMILES:
c1(COCC)cc(O)cc(C2C(CC=C(C)C)C(C)=CCC2C(C)=C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -17.191

InChIKey:
UGMVZWFLNDEQBI-UHFFFAOYSA-N

ID: 60992

SMILES:
C1C2C(C3OC3(C)C1)C(C)(C)Oc1c2c(O)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -16.742

InChIKey:
MVWRZEBDMHBGHY-UHFFFAOYSA-N

ID: 60993

SMILES:
C1C2=CC(c3c(O)cc(CCCCC)cc3O2)OC(C)(C)C1CCC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -16.305

InChIKey:
OXLQOTBOGBCFTF-UHFFFAOYSA-N

ID: 60994

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)-c2cc(O)cc(C)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -17.098

InChIKey:
CYYBJMFYWOOUPL-UHFFFAOYSA-N

ID: 60995

SMILES:
CCCCCc1ccc(O)c(CC=C(C)CCC=C(C)C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.467

InChIKey:
TVERKJMGSVKUPT-UHFFFAOYSA-N

ID: 60996

SMILES:
CC1(C)Oc2c(c(O)c(C(=O)C(C)CC)c(O)c2OC)C2C1CCC(C)=C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -17.118

InChIKey:
QICPZEKTVCZCKT-UHFFFAOYSA-N

ID: 60997

SMILES:
C1(CO)C(CO)C2C(O)(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.509

CB1 binding score: -16.235

InChIKey:
PZZBFLJEISOIMO-UHFFFAOYSA-N

ID: 60998

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(CO)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 60999

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(O)(C)C1O)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -14.2

InChIKey:
OTCJUTWUXNRQBC-UHFFFAOYSA-N

ID: 61000

SMILES:
CC1=CC2c3c(O)cc(CCC)cc3OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 61001

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12)c1ccccc1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.485

CB1 binding score: -12.349

InChIKey:
PKDKRRILQPBCLF-UHFFFAOYSA-N

ID: 61002

SMILES:
C1C(=C)CC2C(C2)C(C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -14.515

InChIKey:
GYVAZMFBZXJZDV-UHFFFAOYSA-N

ID: 61003

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -14.905

InChIKey:
BBCGDWADOGDVID-UHFFFAOYSA-N

ID: 61004

SMILES:
Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1OC3C=C(C(=O)O1)CC(O3)C2C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.541

CB1 binding score: -15.659

InChIKey:
RJNMUHYPZNJBIS-UHFFFAOYSA-N

ID: 61005

SMILES:
C1(C)=CCCC2(C)Oc3c(c(O)cc(CCC)c3)C(O)C2(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -14.041

InChIKey:
DZNPIDICSCUJIG-UHFFFAOYSA-N

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60985–61005 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