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Molecule Identifiers
Molecular Properties

ID: 140932

SMILES:
C=C(C)C1CC=C(C)C2Cc3c(O)cc(CCCC)cc3OC1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -13.91

InChIKey:
ZMVGBGPUDQLMTJ-UHFFFAOYSA-N

ID: 140933

SMILES:
c1(O)cc(C)cc(O)c1C1C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 140934

SMILES:
CCCCc1cc(O)c2c(c1)OC(C)(C)c3ccc(C=O)cc3-2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.393

CB1 binding score: -16.015

InChIKey:
LALCFJMHFHAOHU-UHFFFAOYSA-N

ID: 140935

SMILES:
CC1(C)Oc2cc(CCC(CC)C)cc(O)c2C=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -14.081

InChIKey:
WIXLCVWYWBIXFZ-UHFFFAOYSA-N

ID: 140936

SMILES:
Oc1cc(C(C)(CCCC(C)C2(C)CCC(C)=CC2)O)cc(O)c1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.619

CB1 binding score: -13.401

InChIKey:
ZBWNCCUSLOUBHV-UHFFFAOYSA-N

ID: 140937

SMILES:
O(c1cc2c(c3c1OC(C)(C)C1C3C=C(C)CC1)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -17.025

InChIKey:
FNWGPZSUGDUDSJ-UHFFFAOYSA-N

ID: 140938

SMILES:
c1(-c2c(O)cc(CCCCC)cc2)cc(CC=C(C)C)c(O)c(CC=C(C)C)c1OC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.609

CB1 binding score: -17.1

InChIKey:
CWRVQIFGDKAWDY-UHFFFAOYSA-N

ID: 140939

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 140940

SMILES:
c1(C(C)=O)cc(O)c(C2C=C(CO)CCC2C(C)=C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -15.621

InChIKey:
LEXRPFLLUUJCMU-UHFFFAOYSA-N

ID: 140941

SMILES:
C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 140942

SMILES:
CC1(O)CCCC(C)(C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.473

CB1 binding score: -17.354

InChIKey:
UNLFZSQAOQBPOQ-UHFFFAOYSA-N

ID: 140943

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 140944

SMILES:
CCc1c(O)c(C2C=C(C)CCC2C(C)=C)c(O)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -18.306

InChIKey:
HKPHIZJSDBBDFE-UHFFFAOYSA-N

ID: 140945

SMILES:
C(CCc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.609

InChIKey:
HAKUWGCTBUVNJQ-UHFFFAOYSA-N

ID: 140946

SMILES:
C(Cc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(OC)c1)CCC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -15.306

InChIKey:
UYHZGJXNZABYOB-UHFFFAOYSA-N

ID: 140947

SMILES:
C(Oc1cc2c(c(C)c1)C=CC(CCCC(C)C)(C)O2)CCCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -16.015

InChIKey:
IEURHABZCMRWPR-UHFFFAOYSA-N

ID: 140948

SMILES:
O1c2c(c(O)cc(C)c2)C2C(O)C1(C)CCC2C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -15.374

InChIKey:
SSWGZCSTWNCXQZ-UHFFFAOYSA-N

ID: 140949

SMILES:
CC1=CC(c2c(O)c(C(C)=O)c(C)cc2O)C(C(CCC=C(CO)C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -14.341

InChIKey:
FBKFYRZVCIJHQO-UHFFFAOYSA-N

ID: 140950

SMILES:
c1(O)c(C)cc2c(c1)C(C)(C)Oc1c-2c(O)cc(CCCCC)c1C=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.446

CB1 binding score: -14.682

InChIKey:
INTGQGXPQILFDZ-UHFFFAOYSA-N

ID: 140951

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(C(C)C)CCC(C)(C(=O)C1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.502

InChIKey:
RDPWFOMPVXVTGF-UHFFFAOYSA-N

ID: 140952

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

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140932–140952 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