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Molecule Identifiers
Molecular Properties

ID: 95866

SMILES:
O1c2cc(CCCCC)cc(O)c2C2CC(C(C)C)C3C(C)(CC(O)C=C13)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: Not available

InChIKey:
DQAOLTZBBOOGCY-UHFFFAOYSA-N

ID: 95867

SMILES:
C(CCCc1cc2c(cc1)C(C)(CCC=C(C)CCC=C(C)C)O2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.551

CB1 binding score: Not available

InChIKey:
ZFGSGRWSYKDCNE-UHFFFAOYSA-N

ID: 95868

SMILES:
C12C(C(O)(C)CC=C1)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.731

InChIKey:
BTIUWDNYZBTCII-UHFFFAOYSA-N

ID: 95869

SMILES:
C(C=C(C)C)CC(=CCc1c(O)cc(CC(C)C)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -19.14

InChIKey:
FMGXBWXQUOYHHL-UHFFFAOYSA-N

ID: 95870

SMILES:
COC(=O)C1=CCCC2(C)C(Cc3c(OC(C)=O)cc(CCCCC)cc3O)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.515

CB1 binding score: -13.903

InChIKey:
HCFVIQXMWKESEC-UHFFFAOYSA-N

ID: 95871

SMILES:
c1c(O)c2c(cc1CCCCCC)OC(C)(C)C1CCC(C(=O)OC)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -17.374

InChIKey:
FJPBEEZINPTNBC-UHFFFAOYSA-N

ID: 95872

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 95873

SMILES:
c1(C(=O)OCCCC)c2c(cc(O)c1C(O)=O)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.46

CB1 binding score: -15.385

InChIKey:
CAXLNVWPXMLQNZ-UHFFFAOYSA-N

ID: 95874

SMILES:
C(Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1)CCO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.578

InChIKey:
VWFFDRSNKWHXJK-UHFFFAOYSA-N

ID: 95875

SMILES:
Oc1c(CC=C(C)C)cc(O)cc1CC=C(C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.748

InChIKey:
VRXKPPYOGGSRFK-UHFFFAOYSA-N

ID: 95876

SMILES:
C1=C(C)CCC(C(=C)C)C1c1c(O)cc(CCCCC)cc1OC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -17.989

InChIKey:
ZTZGBEZKXBIYDU-UHFFFAOYSA-N

ID: 95877

SMILES:
C(C)(C1CCC(C)C2Oc3c(c(O)cc(CCCC)c3)C2C1)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.746

InChIKey:
ZLVUPMDNKKOMJM-UHFFFAOYSA-N

ID: 95878

SMILES:
C1=C(C)CCC2C1c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 95879

SMILES:
O(C1C(O)C(O)C(O)C(CO)O1)c1c(C(O)=O)c(CCCCC)cc2c1C1C(C(C)(C)O2)C(C)CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 522.635

CB1 binding score: -13.845

InChIKey:
SZARKACHRBFPAY-UHFFFAOYSA-N

ID: 95880

SMILES:
C(C)CCc1cc(O)c2c(c1)OC(C)(C)C1(O)CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -18.639

InChIKey:
NOSBHZICWXHEKL-UHFFFAOYSA-N

ID: 95881

SMILES:
C1CC2(C(C(C)(O)C)O)C1c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.429

CB1 binding score: -14.581

InChIKey:
ZQCAJJHSEOHLQR-UHFFFAOYSA-N

ID: 95882

SMILES:
Oc1c2c(cc(C(C)(C)O)c1)OCC1(C)OC23CC1CCC3C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -13.63

InChIKey:
KLSCIEOWUFBHFI-UHFFFAOYSA-N

ID: 95883

SMILES:
C1C(C(O)CCO)c2c(cc(CCCCC)cc2O)OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 322.445

CB1 binding score: -15.828

InChIKey:
MKSYJEOXJDTPDU-UHFFFAOYSA-N

ID: 95884

SMILES:
C1(CO)CCC(=CCc2c(O)cc(CCCCC)cc2O)C(C)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -12.264

InChIKey:
QVQVHAMRZQNREA-UHFFFAOYSA-N

ID: 95885

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C=C(C)CCC1C1(C)OC1C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -16.429

InChIKey:
GUVRDSPDKBNNEZ-UHFFFAOYSA-N

ID: 95886

SMILES:
C1C(C)CCC(C(C)C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.501

CB1 binding score: -21.078

InChIKey:
LXIXAVCVBZBXIY-UHFFFAOYSA-N

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95866–95886 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