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Molecule Identifiers
Molecular Properties

ID: 108970

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.57

InChIKey:
LURPWARMGYBTPS-UHFFFAOYSA-N

ID: 108971

SMILES:
C1C2(C(O)=O)C(C(C(=C)C)C1)c1c(cc(CCCCCC)cc1O)OC(C)(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -15.12

InChIKey:
CHGJWHKBSSZWST-UHFFFAOYSA-N

ID: 108972

SMILES:
O=C(C1=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12)NC(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 385.504

CB1 binding score: -15.401

InChIKey:
BGKCTGOHKJRRQC-UHFFFAOYSA-N

ID: 108973

SMILES:
C(=C(C)C)C=CC(=CCc1c(O)cc(CCC)cc1O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.527

InChIKey:
JGAUOERNJZIWJA-UHFFFAOYSA-N

ID: 108974

SMILES:
c12c(c(O)cc(CCCCC)c1)C1CC(C(=C)C)CCC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.334

InChIKey:
KKGGNLGHOSMNOH-UHFFFAOYSA-N

ID: 108975

SMILES:
C1(=C)COC2(O)c3c(O)cc(CCCCC)cc3OC1(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -13.738

InChIKey:
ZDNDCIFGKSXVGJ-UHFFFAOYSA-N

ID: 108976

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(OCC=C(C)CCC=C(C)C)c2CC1C=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -17.684

InChIKey:
SUZMELOHIAMNCI-UHFFFAOYSA-N

ID: 108977

SMILES:
C12CC=C(C)CC1c1c(c(CCCCCCC)ccc1C)OC(C)(C)C2=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.589

CB1 binding score: -15.46

InChIKey:
UMFPUNOIKGXUHO-UHFFFAOYSA-N

ID: 108978

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(CCC=C(C)C)C(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.002

InChIKey:
ITDDKOGKAGSKEJ-UHFFFAOYSA-N

ID: 108979

SMILES:
Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 108980

SMILES:
C12C(C(C)(C)Oc3cc(CCCCC)cc(OC(=O)C)c31)C(=O)C=C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -15.113

InChIKey:
BZIFKLBULNEBSJ-UHFFFAOYSA-N

ID: 108981

SMILES:
Oc1cc(CCCCC)cc2c1C1C(O)(C(O)C2CO)CC(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -14.605

InChIKey:
ONEKWQNCLXZJOB-UHFFFAOYSA-N

ID: 108982

SMILES:
c1(O)cc(CCCCC)cc2c1C1C=C(C)CCC1C(=C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 296.454

CB1 binding score: -17.389

InChIKey:
HODRCWKEJZQPDI-UHFFFAOYSA-N

ID: 108983

SMILES:
c1(OC)c(C)cc(O)cc1CC1(C)C(C)CCC(=C(C)C)C1CCCO

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -16.64

InChIKey:
OQIZBPAULLYYPP-UHFFFAOYSA-N

ID: 108984

SMILES:
C1(C)=CC(=O)C=C(C2(C)CC=CC(C)(C)O2)C1Cc1cc(O)cc(C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.473

CB1 binding score: -12.868

InChIKey:
FUCHEXFGCWZDEB-UHFFFAOYSA-N

ID: 108985

SMILES:
BrC1OC(C)(C)C(Br)CC1c1c(O)cc(C(CCC(Br)C(C)(O)C)(C)C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 585.215

CB1 binding score: -16.542

InChIKey:
SLFLKSSGBRLPJJ-UHFFFAOYSA-N

ID: 108986

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 108987

SMILES:
Cc1c(O)c(C2C=C(C)CCC2C(C)=C)c(O)cc1CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.108

InChIKey:
QQBPVZPWRDJCHQ-UHFFFAOYSA-N

ID: 108988

SMILES:
C12=Cc3c(cc(CC=C)cc3O)OC(C)(C)C1CCC(C)=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 296.41

CB1 binding score: -17.016

InChIKey:
MWDCOMSZTLJMAJ-UHFFFAOYSA-N

ID: 108989

SMILES:
C(CCCC)Cc1cc(OC)c(OC(C)=O)c(OCC=C(C)CCC=C(C)C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.575

CB1 binding score: -15.288

InChIKey:
GZICDHLXMMFMRO-UHFFFAOYSA-N

ID: 108990

SMILES:
C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1CC(CO)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.832

InChIKey:
LOUSQMWLMDHRIK-UHFFFAOYSA-N

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108970–108990 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