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Molecule Identifiers
Molecular Properties

ID: 135661

SMILES:
OC1(C)C=C2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.809

InChIKey:
CRWQEFHNNFNXDE-UHFFFAOYSA-N

ID: 135662

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -18.767

InChIKey:
OGCCABVUOZBTQV-UHFFFAOYSA-N

ID: 135663

SMILES:
C(c1cc(OC)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CCC(=O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.335

InChIKey:
WLZMBRITGNDDHV-UHFFFAOYSA-N

ID: 135664

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 135665

SMILES:
Oc1c(C2C(C(C)=C)CCC(C)=C2)c(C)cc(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.798

InChIKey:
KDZOUSULXZNDJH-UHFFFAOYSA-N

ID: 135666

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 135667

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 135668

SMILES:
C1=CC(C)(C)Oc2c1c(O)cc(CCC)c2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 218.296

CB1 binding score: -17.978

InChIKey:
CHBXMMKWGIOKEK-UHFFFAOYSA-N

ID: 135669

SMILES:
C(=CC(C)=CC(CC(=CCc1c(O)c(C)cc(OC)c1)C)=O)C(C)(CC(C)C1=CCC2C(=C1)OCO2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 506.683

CB1 binding score: -14.309

InChIKey:
RYMVTAPVRDRISJ-UHFFFAOYSA-N

ID: 135670

SMILES:
c1(CC2=CC(=O)CCC2C(C)=C)c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.411

InChIKey:
NYUWRKRYIFMDAF-UHFFFAOYSA-N

ID: 135671

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.552

CB1 binding score: -15.306

InChIKey:
YCBFRHTYNOBHAU-UHFFFAOYSA-N

ID: 135672

SMILES:
C12C3(C=C(C)C(=O)C3)c3c(cc(CCCCC)cc3O)OC(C)(C)C1CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -15.116

InChIKey:
ZDMZKZLNBNWUMQ-UHFFFAOYSA-N

ID: 135673

SMILES:
C1=C(O)C(=O)C2(C1(C)C)c1c(O)cc(CCCCC)cc1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -16.647

InChIKey:
UEXVVZGXEOWOIR-UHFFFAOYSA-N

ID: 135674

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CC=C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 135675

SMILES:
C1=CC(=O)CCC1(C1(O)c2c(O)cc(CCCO)cc2OC1(C)C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.395

CB1 binding score: -15.078

InChIKey:
FXMZHGKRLSRMSJ-UHFFFAOYSA-N

ID: 135676

SMILES:
CC(c1c(O)c(C(=O)CC)c(OC(C)=O)c2c1OC(C)(C)C1CCC(C)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.515

CB1 binding score: -16.438

InChIKey:
KPTVBCSFNRXRQU-UHFFFAOYSA-N

ID: 135677

SMILES:
Oc1cc(CCC)cc2c1C1CC(C)CCC1C(C)=CC2CC(C)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.578

CB1 binding score: -14.801

InChIKey:
IJUBLOYYHQLIRX-UHFFFAOYSA-N

ID: 135678

SMILES:
C12(C)Oc3cc(C)cc(O)c3C1C(O)C(C)=CC2C(C(O)(C)CCC=C(C)C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.531

CB1 binding score: -13.58

InChIKey:
YNACWFPCOZZNMF-UHFFFAOYSA-N

ID: 135679

SMILES:
C(c1c(O)cc2c(c1O)C=CC(C)(CCC=C(CCC=C(C)C)C)O2)C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -16.608

InChIKey:
XHCPGXLLDUPZAH-UHFFFAOYSA-N

ID: 135680

SMILES:
C1CC2=C(C)C3C(C(C)(C)Oc4cc(C)cc(O)c4C3C1(C)C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -14.627

InChIKey:
XOKLXLQQWQIQOM-UHFFFAOYSA-N

ID: 135681

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.515

CB1 binding score: -13.219

InChIKey:
LAAFVSQUAKESJA-UHFFFAOYSA-N

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135661–135681 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