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Molecule Identifiers
Molecular Properties

ID: 136795

SMILES:
C(=CC1=CCC2C(C(C)(C)Oc3c2c(O)c(CC=C(C)C)c(OC)c3)C1)C=CC=C(C)CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.619

CB1 binding score: -16.026

InChIKey:
VVYGIJCMLHAECF-UHFFFAOYSA-N

ID: 136796

SMILES:
c1c(CC(C(O)=O)O)cc(O)c(C2C=C(C)CCC2C(C)=C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -15.12

InChIKey:
VAUQVQVIHRVHAL-UHFFFAOYSA-N

ID: 136797

SMILES:
c1(CCCCC)c(C(=O)O)c(O)c(CC=C(CCC=C(C)C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -19.234

InChIKey:
SEEZIOZEUUMJME-UHFFFAOYSA-N

ID: 136798

SMILES:
c1(O)ccc(CCN)cc1Oc1cc(CCCCC)cc2c1C1C(C(C)(C)CCC1(C)OC)CC(CC=C(C)C)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 605.904

CB1 binding score: -15.238

InChIKey:
AXRHIZOMAFNHJF-UHFFFAOYSA-N

ID: 136799

SMILES:
c1(O)c(C2C=C(C)CCC2C(C)=C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 136800

SMILES:
c1(C=CC)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -17.329

InChIKey:
UXMYALNHHLVVAU-UHFFFAOYSA-N

ID: 136801

SMILES:
C1(C)(C)C2CC=C(C(=O)O)CC2c2c(O)cc(CCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -17.482

InChIKey:
LUVSRWROAAHJJR-UHFFFAOYSA-N

ID: 136802

SMILES:
C12(O)C(C(=C(C)C)CCC1C)c1c(c(CCCCCC)cc(O)c1)OC2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -14.144

InChIKey:
JXECPTRPKRVTCG-UHFFFAOYSA-N

ID: 136803

SMILES:
C1C(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -15.874

InChIKey:
YXRFOCIOHQWSJX-UHFFFAOYSA-N

ID: 136804

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.534

InChIKey:
INKUWBOHCFHXTJ-UHFFFAOYSA-N

ID: 136805

SMILES:
C1=C(C)CCC(C(C)=C)C1c1c(O)cc(O)cc1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.798

InChIKey:
KDZOUSULXZNDJH-UHFFFAOYSA-N

ID: 136806

SMILES:
C(c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)CCCCCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.631

CB1 binding score: -17.696

InChIKey:
PJMICWGXKSAMHL-UHFFFAOYSA-N

ID: 136807

SMILES:
c1(CCCCC)cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 136808

SMILES:
CC1C(c2c(O)cc(CCCCC)cc2OC)C(C(C)CCCC(C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.636

CB1 binding score: -15.17

InChIKey:
LKBSRZLIYZDEEK-UHFFFAOYSA-N

ID: 136809

SMILES:
C(Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 136810

SMILES:
O1c2c(c(O)cc(CCC)c2)CC=C(C)CCC=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -14.724

InChIKey:
LDQBYNCQCXJLOQ-UHFFFAOYSA-N

ID: 136811

SMILES:
c1c(CCN(C)C)cc(C2C(C(C)=C)CCC(C)=C2)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 283.459

CB1 binding score: -18.316

InChIKey:
NCZMJELKEZQIFV-UHFFFAOYSA-N

ID: 136812

SMILES:
O(O)C1C(C)=CC(c2c(O)cc(CCC)cc2O)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -16.013

InChIKey:
POENLPBYFXBMNJ-UHFFFAOYSA-N

ID: 136813

SMILES:
CC1(C)C2C(c3c(O)cc(CCCCC)cc3OC2(C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.269

InChIKey:
RQDYJBPVHKVGMO-UHFFFAOYSA-N

ID: 136814

SMILES:
C1C(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.616

InChIKey:
XADHVNDJRGVZCL-UHFFFAOYSA-N

ID: 136815

SMILES:
C1C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C2(C)C(C)(C1)C(C)CCC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.631

CB1 binding score: -14.944

InChIKey:
SLFNYFGNZUPGQE-UHFFFAOYSA-N

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136795–136815 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