Browse

Molecule Identifiers
Molecular Properties

ID: 121087

SMILES:
C(=C)C1(CCc2c(O)cc(CCC)cc2O)C(C)(C)C(C)C=C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.132

InChIKey:
HWYGXMVJQJJJRK-UHFFFAOYSA-N

ID: 121088

SMILES:
CC1=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)C(O)CC(C)=CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -16.145

InChIKey:
SJKYWRYWXGUUNB-UHFFFAOYSA-N

ID: 121089

SMILES:
C1(C)(C)Oc2c(c(OC)c(OC)cc2C2C=C(C)CCC2C(C)=C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -15.45

InChIKey:
MFNHRPQVKHBXCR-UHFFFAOYSA-N

ID: 121090

SMILES:
c1(C)c2c(c(O)c(OC)c1)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -18.748

InChIKey:
PKNNAKAYCYJMLR-UHFFFAOYSA-N

ID: 121091

SMILES:
C1C(C)(CO)Oc2c(c(O)cc(CCCCC)c2)C1CCC(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -15.686

InChIKey:
ABLARCLTYNGKRF-UHFFFAOYSA-N

ID: 121092

SMILES:
CC(OC1CC2(C)Oc3cc(C)cc(O)c3CC2C1C(=C)C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -14.605

InChIKey:
LXDRMKJYIBWKQK-UHFFFAOYSA-N

ID: 121093

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -19

InChIKey:
AWUDMACGDPCMRJ-UHFFFAOYSA-N

ID: 121094

SMILES:
Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CC(=C(C)C)C(=O)CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -15.929

InChIKey:
RPLYZUNTDBFMDI-UHFFFAOYSA-N

ID: 121095

SMILES:
O=C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.444

InChIKey:
HBORGTWCKPTXGS-UHFFFAOYSA-N

ID: 121096

SMILES:
C(CCC)C(c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)C3C(C21)C3)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.599

CB1 binding score: Not available

InChIKey:
WTHYGPNJGLLVDN-UHFFFAOYSA-N

ID: 121097

SMILES:
c1(OC)cc(OC)c2c(c1O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -17.564

InChIKey:
QILPRKFQCQDLJO-UHFFFAOYSA-N

ID: 121098

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -14.548

InChIKey:
YUQBRKPLFIZTEE-UHFFFAOYSA-N

ID: 121099

SMILES:
C1(c2c(O)cc(CCCCC)cc2OC)CC(C)=CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.696

InChIKey:
HYNYRWBHLSVRRM-UHFFFAOYSA-N

ID: 121100

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -17.871

InChIKey:
HLOAIJZUTIQFKA-UHFFFAOYSA-N

ID: 121101

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 121102

SMILES:
C(CC)c1c(O)cc2c(c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.293

InChIKey:
KMGZHGKWNQWLMQ-UHFFFAOYSA-N

ID: 121103

SMILES:
CS(=O)(c1c(C)cc2c(c1)C1C(C(C)(C)O2)CCC(C)=C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.498

CB1 binding score: -15.429

InChIKey:
KUYMINHYIYMERB-UHFFFAOYSA-N

ID: 121104

SMILES:
c1(C=O)c(O)c(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.343

CB1 binding score: -16.943

InChIKey:
HLRFKSSHMFZZOK-UHFFFAOYSA-N

ID: 121105

SMILES:
O1c2c(c(O)cc(CCCCC)c2)CC2C(C1=O)CC=C(CCC=C(C)C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -15.141

InChIKey:
MQCXDELQHCMUAH-UHFFFAOYSA-N

ID: 121106

SMILES:
CC(C)=CCCC(C)=CCc1cc(O)c(CC=C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 314.469

CB1 binding score: -18.687

InChIKey:
WLQHMAXRUPMVPI-UHFFFAOYSA-N

ID: 121107

SMILES:
CC(C)C1CCC(C)CC1c1c(O)cc(CCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.447

CB1 binding score: -19.319

InChIKey:
VNFNICPIQJPBJY-UHFFFAOYSA-N

◀5764576557665767576857695770▶
121087–121107 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