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Molecule Identifiers
Molecular Properties

ID: 123775

SMILES:
O=c1c(O)cc(C)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -16.244

InChIKey:
DYLAONPDTOWYOZ-UHFFFAOYSA-N

ID: 123776

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC(C)(C)c1c-2cc(C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 123777

SMILES:
C(CCC)Cc1c(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c2c1C(=O)OC2CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.515

CB1 binding score: -15.195

InChIKey:
OGHLCDMGKVTDAT-UHFFFAOYSA-N

ID: 123778

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)C(O)C1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.429

CB1 binding score: -17.005

InChIKey:
AXJOEUXJCVCGPB-UHFFFAOYSA-N

ID: 123779

SMILES:
C1(C)C(C)(C)C2CC=C(C)C12CCC1(C)Oc2c(cc(OC)cc2)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -15.101

InChIKey:
BJNAOBZXFTWJPS-UHFFFAOYSA-N

ID: 123780

SMILES:
C1C(C)=CC(CC(C)C)Oc2c(CC=C(C)C)c(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -15.978

InChIKey:
NWKJBQMPXQTWFA-UHFFFAOYSA-N

ID: 123781

SMILES:
c1c(C=CC)cc2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 268.4

CB1 binding score: -16.976

InChIKey:
ZOPLLEZXWICTLO-UHFFFAOYSA-N

ID: 123782

SMILES:
C1c2c(O)cc(C)cc2OC(C)(CCC=C(C)C)C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -19.203

InChIKey:
JHQKHQGVDMMGDS-UHFFFAOYSA-N

ID: 123783

SMILES:
Cc1c(C2C(C(C)C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.513

CB1 binding score: -17.825

InChIKey:
SBNHDVINUVKXIY-UHFFFAOYSA-N

ID: 123784

SMILES:
c12c(O)ccc(CCCCC)c1C1C(C(C)(C)O2)CCC(O)C1CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -16.204

InChIKey:
YHKGBZTXGBRCFW-UHFFFAOYSA-N

ID: 123785

SMILES:
c1(CC(C)C)cc(O)c(C2C(C(C)=C)CC(C(C)=C)CC2)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -12.769

InChIKey:
FZWHDXCEIOWPAT-UHFFFAOYSA-N

ID: 123786

SMILES:
CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)=CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -18.691

InChIKey:
SMVYPIPXPDDZTD-UHFFFAOYSA-N

ID: 123787

SMILES:
C1(C)=CCC(C(C)C2C3C(c4c(O)cc(CCCCC)cc4O3)OC1C)C(C(C)(O)C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.667

CB1 binding score: -11.407

InChIKey:
OOILPOOBUGRACS-UHFFFAOYSA-N

ID: 123788

SMILES:
Oc1c(C2C(O)C(O)C(CO)O2)c2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.464

CB1 binding score: -14.975

InChIKey:
CWLJXKQALNFVFT-UHFFFAOYSA-N

ID: 123789

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(CO)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.832

InChIKey:
LOUSQMWLMDHRIK-UHFFFAOYSA-N

ID: 123790

SMILES:
COc1c(O)c(OC)cc(CCc2cc3c(c(O)c2)CCC(C)(CCC=C(CCC=C(C)C)C)O3)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 494.672

CB1 binding score: -13.003

InChIKey:
QLFKKCQGJQGCGA-UHFFFAOYSA-N

ID: 123791

SMILES:
c1(O)cc(C)cc(O)c1C1C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 123792

SMILES:
C(OC(C)(C=O)c1c(O)c2c(cc1O)OC(C)(C)C1C2CC(C)CC1)=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -15.958

InChIKey:
YJYXQPBVFCKZPK-UHFFFAOYSA-N

ID: 123793

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(O)C(C)CC1=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -18.687

InChIKey:
RZHNNKPIBJVHNR-UHFFFAOYSA-N

ID: 123794

SMILES:
C1C(C)=CC2C(C(C)C)CCC(C)(Oc3cc(CCCCC)cc(O)c32)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -15.966

InChIKey:
ZEPDTLUSACXXBG-UHFFFAOYSA-N

ID: 123795

SMILES:
CCCc1c(O)cc2c3c1C(O)(C(C)(C)O2)CCC(C)=C3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -15.929

InChIKey:
BELKEDSEAGPZSX-UHFFFAOYSA-N

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123775–123795 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