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Molecule Identifiers
Molecular Properties

ID: 132616

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -18.166

InChIKey:
FGEQAFJXCIBXCD-UHFFFAOYSA-N

ID: 132617

SMILES:
c1cc(O)c(C2C(C(C)=CCC=C(C)C)CCC(C)=C2)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 296.454

CB1 binding score: -15.837

InChIKey:
HODOZTZAGXKDET-UHFFFAOYSA-N

ID: 132618

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1C1C=C(C)CCC1C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -16.529

InChIKey:
YZQOUEJJPCIRHR-UHFFFAOYSA-N

ID: 132619

SMILES:
C(C)(C)=CCC1C(CC(C)=CCc2c(O)c(C)cc(O)c2)=C2C(C(C)(C)OO1)CCC2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.624

CB1 binding score: -13.951

InChIKey:
XETCMXIPKCLZOZ-UHFFFAOYSA-N

ID: 132620

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -16.987

InChIKey:
CYWNGHQPFIJSAD-UHFFFAOYSA-N

ID: 132621

SMILES:
C(c1ccccc1)c1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.459

CB1 binding score: -16.98

InChIKey:
XFACZPWUAXHUAM-UHFFFAOYSA-N

ID: 132622

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CC(=O)C(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.026

InChIKey:
FJVJQPVMJALOMF-UHFFFAOYSA-N

ID: 132623

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 132624

SMILES:
OCC1(C)C2C1c1c(cc(CCCCC)cc1O)OC(C)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -12.408

InChIKey:
ALQRWKYTSHBLFB-UHFFFAOYSA-N

ID: 132625

SMILES:
O1C(CC(=CCc2c(O)c(C)cc(OC)c2)C)C(C)C2C1(C)C1C(=CC2)C(C)(C)CC(=O)C1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 468.634

CB1 binding score: -11.799

InChIKey:
AQSDDJSWDWNXLO-UHFFFAOYSA-N

ID: 132626

SMILES:
C(Oc1cc(CCCCC)cc2c1C1CC(C)=CCC1C(C)(C)O2)(=O)C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -15.288

InChIKey:
OZBQIKMXPSDGNY-UHFFFAOYSA-N

ID: 132627

SMILES:
C(C)(=O)c1c(O)c2c(c(O)c1O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.369

CB1 binding score: -17.278

InChIKey:
GBQOKQFLNSXLMR-UHFFFAOYSA-N

ID: 132628

SMILES:
c1(O)c(C2C(C(=C)C)=CCC(C)C2)c(O)c(C(OC)=O)c(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -11.814

InChIKey:
KZRICUCEBVHGPV-UHFFFAOYSA-N

ID: 132629

SMILES:
C12c3c(O)cc(CCCCC)cc3OC(C)(C)C1CCC(C)C2OC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -16.665

InChIKey:
QGCMZLCMJQZIRM-UHFFFAOYSA-N

ID: 132630

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(CO)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 132631

SMILES:
C(C)CCCC(=O)Oc1cc(CCCCC)cc(O)c1C1C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -5.428

InChIKey:
UXVRSKKDJJIQBW-UHFFFAOYSA-N

ID: 132632

SMILES:
c1(CCOC2C(C(C)=C)CCC(C)=CCCC(C=O)=C2)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.624

CB1 binding score: -15.53

InChIKey:
VAWVAJBMUNPCGO-UHFFFAOYSA-N

ID: 132633

SMILES:
Cc1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -19.857

InChIKey:
ADVBWFBGNLNRPY-UHFFFAOYSA-N

ID: 132634

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.812

InChIKey:
FTDORWGKHUOHKJ-UHFFFAOYSA-N

ID: 132635

SMILES:
C1=Cc2c(OC)c(O)c(CCCCC)cc2OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -15.116

InChIKey:
AJSPXHFPEDRFRC-UHFFFAOYSA-N

ID: 132636

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1=CC(O)(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.015

InChIKey:
PCNNREMMHAKICW-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