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Molecule Identifiers
Molecular Properties

ID: 137530

SMILES:
CC(O)Cc1cc(O)cc(O)c1C1C=C(C)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.147

InChIKey:
RCPVTUDPHQIBKL-UHFFFAOYSA-N

ID: 137531

SMILES:
C(CCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -19.739

InChIKey:
WBRXESQKGXYDOL-UHFFFAOYSA-N

ID: 137532

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2)C1COC(=O)C1=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.495

CB1 binding score: -15.048

InChIKey:
CCNITPWMRWYNAW-UHFFFAOYSA-N

ID: 137533

SMILES:
CC1=CC(c2c(O)cc(CCC)cc2O)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 137534

SMILES:
C1C(C(=C)C)C2c3c(cc(CCCC)cc3O)OC(C)(CC2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.879

InChIKey:
YXQLQSICEPBGEN-UHFFFAOYSA-N

ID: 137535

SMILES:
Cc1c(O)cc(C#N)c(C2C=C(C)CCC2C(C)=C)c1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 297.398

CB1 binding score: -14.824

InChIKey:
JQWMXGMTAHSJED-UHFFFAOYSA-N

ID: 137536

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 137537

SMILES:
C1(Oc2cc(CCCCC)ccc2OC)C(C)CCC(C(=C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -15.929

InChIKey:
BWKADBCCXWZDKU-UHFFFAOYSA-N

ID: 137538

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.332

CB1 binding score: -18.334

InChIKey:
YVWZJXRXPSVZJS-UHFFFAOYSA-N

ID: 137539

SMILES:
C(c1cc2c(cc1)OC1(O)CC=CCC1(OC(=O)C)C2OC(C)=O)CCCCCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.541

CB1 binding score: -18.01

InChIKey:
VPWDGRVDDGYNFQ-UHFFFAOYSA-N

ID: 137540

SMILES:
C1(CO)C(C(=C)C)C(c2c(O)cc(CCC)cc2O)CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.605

InChIKey:
FBPOSIBZFUXHML-UHFFFAOYSA-N

ID: 137541

SMILES:
c1(O)c(CCC)c(OC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -14.549

InChIKey:
HFFONNQRLKHEBU-UHFFFAOYSA-N

ID: 137542

SMILES:
O=C1OC2C(C1=C)c1c(cc(CCCCC)cc1O)OC(C)(C)C2=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.407

CB1 binding score: -16.835

InChIKey:
YGBQFQFVTDKNSD-UHFFFAOYSA-N

ID: 137543

SMILES:
CC(C1CCc2c(cc(CCCCC)cc2O)O1)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -18.249

InChIKey:
CXDXEVNPMXVKRZ-UHFFFAOYSA-N

ID: 137544

SMILES:
c12c(O)cc(CCCCC)cc1OC(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: 137545

SMILES:
c12c(cc(CCCCC)cc1O)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.438

InChIKey:
NKPBIUKTNLMNFS-UHFFFAOYSA-N

ID: 137546

SMILES:
Oc1c(C2C(C(=C)C)CCC(C)=C2)cc(OC)cc1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.334

InChIKey:
BAXJFOVNRATSHT-UHFFFAOYSA-N

ID: 137547

SMILES:
c12c(O)cc(CCCCC)cc1OC(C(C)(C)O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -17.942

InChIKey:
PRKDRANYBPHDBW-UHFFFAOYSA-N

ID: 137548

SMILES:
C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 137549

SMILES:
Oc1cc(CCC(CC)OC)cc(CC2CCCC2C2(C)CCC(O)C(C)(C)O2)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.618

CB1 binding score: -15.306

InChIKey:
UHYGEVHHCPSCQR-UHFFFAOYSA-N

ID: 137550

SMILES:
c12c(O)cc(CCCC)cc1OC(C)(C)C1CCC(CO)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -19.932

InChIKey:
YRIJETKCLFDWJX-UHFFFAOYSA-N

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Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties