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Molecule Identifiers
Molecular Properties

ID: 107794

SMILES:
C12C(c3c(cc(CCCCC)cc3O)OC1(C)C)C(C(C)=C)C(O)CC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -15.748

InChIKey:
SKCLTAQEOKPWQG-UHFFFAOYSA-N

ID: 107795

SMILES:
CC1(C)c2c(O)cc(CCCC(C(=O)O)C)cc2CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.547

InChIKey:
YIPYBPFBWDVULN-UHFFFAOYSA-N

ID: 107796

SMILES:
c1(C2C(C(=C)C)CCC(O)(C)C2O)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -18.57

InChIKey:
ZCWXVUPDFIMABQ-UHFFFAOYSA-N

ID: 107797

SMILES:
C(C1(C)C2C(c3c(cc(CCCCC)cc3O)OC2(C)C)C(=O)c2c(O)cc(O)cc21)CC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.591

CB1 binding score: -15.72

InChIKey:
VVGIIVPVPVAYJA-UHFFFAOYSA-N

ID: 107798

SMILES:
C1(C)CC2C(=CC1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.797

InChIKey:
UQOUHXDCXBITSF-UHFFFAOYSA-N

ID: 107799

SMILES:
Oc1c(CC=C(CCC=C(C)CCC=C(C)C)C)c(O)cc(CCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 356.55

CB1 binding score: -18.934

InChIKey:
LDZQKZLPWVBJOB-UHFFFAOYSA-N

ID: 107800

SMILES:
c1(CC=C(C)C)c(O)cc(CCCCC)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -20.5

InChIKey:
YVUPWYODRDEDFU-UHFFFAOYSA-N

ID: 107801

SMILES:
C12C(CCC1C)c1cc(O)c(C)cc1OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -17.33

InChIKey:
LCSANQKXWOFOPJ-UHFFFAOYSA-N

ID: 107802

SMILES:
CC1(C)Oc2c(c(OC(C)=O)c(CCCCC)cc2OC(=O)C)CC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.439

CB1 binding score: -13.892

InChIKey:
RQQLOIGXLDLQMV-UHFFFAOYSA-N

ID: 107803

SMILES:
C1C(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 107804

SMILES:
C1CC(C(C)=C)C(c2c(O)cc(CCCCC)cc2OC)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 107805

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -19.859

InChIKey:
WRBRAMOWKIFTPD-UHFFFAOYSA-N

ID: 107806

SMILES:
O1c2c(CCCCC)cc3c(c2O)C=CC1(C)C1=CCC(C)=CC1C(C(C)=C)CC3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.594

CB1 binding score: -15.258

InChIKey:
HXIPESPHSAWJDY-UHFFFAOYSA-N

ID: 107807

SMILES:
C(=CCc1c(O)c2c(cc1O)OC(C)(C)C1C2C=C(C)CC1)CC=C(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.636

CB1 binding score: -16.197

InChIKey:
ISSYPVSMOPRDJJ-UHFFFAOYSA-N

ID: 107808

SMILES:
C12C(=C3C(CCC1(O)C)c1c(c(CCCCCC)c(O)cc1O)OC3(C)C)C(=O)C(C)(C)C(CC=C(C)C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 538.769

CB1 binding score: -13.443

InChIKey:
DZCSRHYSDPRAOJ-UHFFFAOYSA-N

ID: 107809

SMILES:
C1C(C(=O)OC)(C)C(=O)C2(c3c(O)cc(CCCCC)cc3O2)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.368

CB1 binding score: -15.477

InChIKey:
OBSMYTGPYWKOON-UHFFFAOYSA-N

ID: 107810

SMILES:
C(CCCC)c1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 107811

SMILES:
C12=CC(=O)CCC1(c1c(CCC(O)CC)cc(O)c(CC=C(C)C)c1O)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -14.605

InChIKey:
JXGDVBCJLSGCSJ-UHFFFAOYSA-N

ID: 107812

SMILES:
C(CC=C(C)CCC=C(C)C)C(c1c(O)cc(CCCCC)cc1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.566

CB1 binding score: -16.142

InChIKey:
HSAHXMNDLBKJFW-UHFFFAOYSA-N

ID: 107813

SMILES:
c1(O)cc(CCOC(CCCCCCCCCC)=O)cc(O)c1C1=C(C)CCC(O)C1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 460.655

CB1 binding score: -13.522

InChIKey:
FMUQLCMHYVAZTC-UHFFFAOYSA-N

ID: 107814

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -19.792

InChIKey:
UGRLMQVLYLFVDE-UHFFFAOYSA-N

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107794–107814 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