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Molecule Identifiers
Molecular Properties

ID: 136459

SMILES:
C(C=C(CCC=C(C)C)C)CC(=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.62

CB1 binding score: -19.427

InChIKey:
VVBVATXKSUVSTB-UHFFFAOYSA-N

ID: 136460

SMILES:
c1(O)ccc(CC(C)=C)c2c1OC(C)(C)C1C2CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -14.605

InChIKey:
ZZVLVXSRAIHAIP-UHFFFAOYSA-N

ID: 136461

SMILES:
C12C(C)(C)Oc3c(c(O)cc(CCC)c3)C1=CC(C)(O)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.594

InChIKey:
MVQCKSNKCFKCOR-UHFFFAOYSA-N

ID: 136462

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.096

InChIKey:
OPOIPENSMKDQLW-UHFFFAOYSA-N

ID: 136463

SMILES:
C(O)Cc1cc(O)c2c(c1)OC(C)(C)C1C2(CCC(=O)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -15.171

InChIKey:
ZMFGDMCQUIASRV-UHFFFAOYSA-N

ID: 136464

SMILES:
C(CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)C(C)=CC(c1cc(O)ccc1O)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 462.586

CB1 binding score: -13.601

InChIKey:
FXBMPYFXXLCQRW-UHFFFAOYSA-N

ID: 136465

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.812

InChIKey:
FTDORWGKHUOHKJ-UHFFFAOYSA-N

ID: 136466

SMILES:
C12C(CCC(C)=C1)C(C)(C)Oc1c2c(O)cc(C(CC(C)C)=O)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.812

InChIKey:
BZRMIGDDIOAKAO-UHFFFAOYSA-N

ID: 136467

SMILES:
C1=C(C)C(C(C)=CCO)CC(C(C)=C)C1c1c(C)c(O)ccc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -14.98

InChIKey:
ZYORHGMKCYDQPP-UHFFFAOYSA-N

ID: 136468

SMILES:
CC(=CCc1c(O)cc(CCCCC)cc1OC)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 136469

SMILES:
C(Cc1cc2c(cc1)OC(C)(C)C1CC(O)C(C)=CC12)C(C)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -15.603

InChIKey:
HCSKIBPRWINAIN-UHFFFAOYSA-N

ID: 136470

SMILES:
O=C1C2(Cl)C(c3c(O)cc(CCCCC)cc3O2)C(C)C1C1(C)CCC(C(O)CC=C(CO)C)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 507.067

CB1 binding score: -13.522

InChIKey:
AZDHBLBCTSSNBI-UHFFFAOYSA-N

ID: 136471

SMILES:
C(C)(C)(C(O)CCC(=O)C)c1c(O)c2c(cc1C)OC(C)(C)C=C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: Not available

InChIKey:
WEYOMKWPEHTJSU-UHFFFAOYSA-N

ID: 136472

SMILES:
C1(CO)C2(CO)CCC(C)=CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -14.851

InChIKey:
WWIOBURLZCGESB-UHFFFAOYSA-N

ID: 136473

SMILES:
C(c1c(O)c2c(c(CC=C(C)C)c1)OC(C)(C)C1CCC(CO)CC12)CC(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -13.436

InChIKey:
LXQSJMFLRJVABU-UHFFFAOYSA-N

ID: 136474

SMILES:
c1c(C(=O)O)c(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -18.515

InChIKey:
ZAVUVJKIYYTDNI-UHFFFAOYSA-N

ID: 136475

SMILES:
O1c2c(cc(O)c(C(C)C(CCC)C)c2)CC1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -14.85

InChIKey:
WFSHWVPTMWFOOC-UHFFFAOYSA-N

ID: 136476

SMILES:
c1(OC)c(O)c2c(cc1CCCCC)OC(C)(C)C1=C2CC(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.16

InChIKey:
KNMNRNBBTAVXHR-UHFFFAOYSA-N

ID: 136477

SMILES:
CC1(C)Oc2cc(C)cc(O)c2C(=O)C2C(C)CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -16.519

InChIKey:
DNCXHHRPSYBSGX-UHFFFAOYSA-N

ID: 136478

SMILES:
C(CCc1cc(OC(=O)C)c(C2(C)CC(C)(C)CCC2)c(O)c1C)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: Not available

InChIKey:
VAIRKZBKAJFNBK-UHFFFAOYSA-N

ID: 136479

SMILES:
C1(C)(CO)C(=O)CCC2(C)c3c(cc(CCCCC)cc3O)OC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -17.527

InChIKey:
QGYHWCTWBPYZHM-UHFFFAOYSA-N

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136459–136479 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