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Molecule Identifiers
Molecular Properties

ID: 133960

SMILES:
C(C(C)C1C(c2c(O)cc(CCCC(=O)OCC)cc2O)CC(C)=CC1)CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -14.605

InChIKey:
VGQJXECVTCSCBK-UHFFFAOYSA-N

ID: 133961

SMILES:
c1(OC)c(OCC=C(CCC=C(C)C)C)c(O)cc(CCCCC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -17.761

InChIKey:
BUFVITAIZHNIDD-UHFFFAOYSA-N

ID: 133962

SMILES:
C1(C)(C)CCCC(C)=C1CCC(C=C)(C)Oc1cc(CCCCC)cc(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -14.578

InChIKey:
IQTALWICJKKRGR-UHFFFAOYSA-N

ID: 133963

SMILES:
C12C(CCC(O)(C)C1)C(C)(C)Oc1cc(CCCC)oc12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.419

CB1 binding score: -12.314

InChIKey:
ABUMMWAIUOOAMB-UHFFFAOYSA-N

ID: 133964

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 344.495

CB1 binding score: -18.585

InChIKey:
WIXPCHIMOONVHR-UHFFFAOYSA-N

ID: 133965

SMILES:
CC1(C)C2CCC(C)C=C2c2c(O)cc(C)cc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.826

InChIKey:
YPPQARGXZPLULW-UHFFFAOYSA-N

ID: 133966

SMILES:
Oc1cc(CCCCC)cc2c1C1C=C(C)C(=O)C(O)C1(C)CCC2C(C)(O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -17.253

InChIKey:
MRQIDTWRZIOULN-UHFFFAOYSA-N

ID: 133967

SMILES:
c1(C2C(C(C)=C)CCC(C)=C2)c(OC2C(O)C(O)C(O)C(CO)O2)cc(C)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.502

CB1 binding score: -16.113

InChIKey:
IXENFWFSODAKOL-UHFFFAOYSA-N

ID: 133968

SMILES:
C12C(CCC(C)=C1)C(C)(C)Oc1c2cc(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -20.067

InChIKey:
OBJJEVJNCDBGOD-UHFFFAOYSA-N

ID: 133969

SMILES:
c1(OCC(OC)=O)cc(CCCCC)cc2c1C=CC(C)(CCC=C(C)C)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -14.409

InChIKey:
XDRVRRFXQADDQD-UHFFFAOYSA-N

ID: 133970

SMILES:
c12ccc(OCCCC)cc1C=CC(C)(CCC=C(C)C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -15.194

InChIKey:
OQWVZUZBLWCNAQ-UHFFFAOYSA-N

ID: 133971

SMILES:
C1C(=O)c2c(O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -18.915

InChIKey:
QGXPGVCOVFFYDF-UHFFFAOYSA-N

ID: 133972

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.62

CB1 binding score: -15.484

InChIKey:
VMSBFGAVVOGGDV-UHFFFAOYSA-N

ID: 133973

SMILES:
C12(OC(=O)c3c(O)cc(CCCCC)cc3O2)CC(C(=C)C)C(C=C)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -16.581

InChIKey:
USKDXMZABVHTPO-UHFFFAOYSA-N

ID: 133974

SMILES:
c1(C)c(C2C(C(C)=C)CCC(C)=C2)cc(O)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -15.752

InChIKey:
LYCKFOOBJOSSFB-UHFFFAOYSA-N

ID: 133975

SMILES:
C1C(C)(C)CC2C(Oc3ccc(CCCCC)cc3OC2(C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -15.07

InChIKey:
RAQGRHHVWSGLHX-UHFFFAOYSA-N

ID: 133976

SMILES:
c1(O)ccc2c(c1)-c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.409

CB1 binding score: -17.529

InChIKey:
WQXFMLNUWABCFK-UHFFFAOYSA-N

ID: 133977

SMILES:
CC(=CCC(O)C(C1C(c2c(O)cc(CCCCC)cc2O)C=C(CO)C2=C1C(O)C(C)CC2=O)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 512.687

CB1 binding score: -14.803

InChIKey:
PZCWTQCZCDUHPG-UHFFFAOYSA-N

ID: 133978

SMILES:
C(c1cc(O)c2c(c1)OC1(C)C2C(C(C)C)CC1)(CC(O)=O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.385

CB1 binding score: -14.399

InChIKey:
DKENWYFZDVOSOE-UHFFFAOYSA-N

ID: 133979

SMILES:
C(C(C(=O)C1C(c2c(O)c(C3C=C(C)CCC3C(=C)C)c(O)cc2O)OC(=O)C1)C)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.552

CB1 binding score: -13.031

InChIKey:
HRQGQZAFMXRKCY-UHFFFAOYSA-N

ID: 133980

SMILES:
C12(C)Oc3cc(C)cc(O)c3C1C=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 230.307

CB1 binding score: -19.722

InChIKey:
JTHBMMWBTWDAFK-UHFFFAOYSA-N

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Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties