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Molecule Identifiers
Molecular Properties

ID: 73984

SMILES:
Oc1c(CC=C(C)CCC=C(C)C)c2c(cc1O)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -14.128

InChIKey:
YBTMCWPYRZGLOW-UHFFFAOYSA-N

ID: 73985

SMILES:
C12(C)CCC3C(C3(C)C)CCC(C)=CC(=O)C1c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -16.453

InChIKey:
AQVDOCAHIQRCTF-UHFFFAOYSA-N

ID: 73986

SMILES:
C=C(C1CCC2(C)C(O)C1c1c(cc(CCCCC)cc1O)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.486

InChIKey:
XYAPTVHARGJNHJ-UHFFFAOYSA-N

ID: 73987

SMILES:
CC1=CC(c2c(O)ccc(OC)c2)C(CO)C(C)(CCC=C(C)C)C1CC(OCC)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.585

CB1 binding score: -9.987

InChIKey:
KZQWGHFQPXTPLG-UHFFFAOYSA-N

ID: 73988

SMILES:
O=C1c2c(ccc(C)c2CCOC(C)=O)C(C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.537

CB1 binding score: -17.265

InChIKey:
KQALMFINQBNPBR-UHFFFAOYSA-N

ID: 73989

SMILES:
Oc1c(CC=C(C)CCC=C(C)C)cc(O)cc1CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.748

InChIKey:
VRXKPPYOGGSRFK-UHFFFAOYSA-N

ID: 73990

SMILES:
C1CCC2(C)Oc3c(c(O)cc(CCC)c3)C2C1C(CCC=C(C)C)(O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -16.253

InChIKey:
RYOUYOGPZWRBJB-UHFFFAOYSA-N

ID: 73991

SMILES:
C(C=C(C)CCC=C(C)C)CC(=CCc1c(O)cc(O)c2c1OC(C)(C)C1C2C=C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 464.69

CB1 binding score: -15.467

InChIKey:
PEFXCOVUEXPMNV-UHFFFAOYSA-N

ID: 73992

SMILES:
C1(C)(C)Oc2cc(O)c(C3C(C(=C)C)CC=C(C)C3)cc2CC1OC(C)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -14.803

InChIKey:
APTBPRKXJIZTNL-UHFFFAOYSA-N

ID: 73993

SMILES:
Cc1cc2c(c(O)c1)C1C(CC2)C(C)(C)Oc2c(=O)cc(C)oc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.392

CB1 binding score: -16.494

InChIKey:
VLNSXYWIOOTEOB-UHFFFAOYSA-N

ID: 73994

SMILES:
c1(O)c(Cl)cc2c(c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.779

CB1 binding score: -16.87

InChIKey:
RLIXNRQKXSWNIN-UHFFFAOYSA-N

ID: 73995

SMILES:
CCCCc1cc2c(c(O)c1)C1=C(C(C)(C)O2)CCC(=C)C2C(CC3(C)C2C1)OCC3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.609

CB1 binding score: -15.361

InChIKey:
MAZFHJXQFMHTGD-UHFFFAOYSA-N

ID: 73996

SMILES:
C(C)CCCCc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.964

InChIKey:
DMJVNNFBMZZLFB-UHFFFAOYSA-N

ID: 73997

SMILES:
C1CC(C)=CC(c2c(O)cc(CCCCC)cc2O)C1(C(C)C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.686

InChIKey:
JXLOXQRGEOZDJN-UHFFFAOYSA-N

ID: 73998

SMILES:
C1=CC2(O)C3(Cc4c(O)cc(CCCCC)cc4O3)OC(C)(C)C2CCC1CCC=C(C(O)=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.633

CB1 binding score: -14.755

InChIKey:
PIADVGUXSCFZEQ-UHFFFAOYSA-N

ID: 73999

SMILES:
C1C2(C)CCCC(c3c(O)cc(CCCCC)cc3O)OC2CC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -15.332

InChIKey:
MFTILIUTYALEER-UHFFFAOYSA-N

ID: 74000

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -16.463

InChIKey:
MXUKLHHOTCRHIU-UHFFFAOYSA-N

ID: 74001

SMILES:
OC1C(O)C(O)C(CO)OC1OCC1=CC2C(C=C1)C(C)(C)Oc1c2c(O)cc(CCCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 504.62

CB1 binding score: -15.358

InChIKey:
AFWHOWMYMGLJLP-UHFFFAOYSA-N

ID: 74002

SMILES:
c1(CCC)c(O)c2c(c3c1OC(C)(C)C=C3)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -13.98

InChIKey:
NIQUUSDDLALTGX-UHFFFAOYSA-N

ID: 74003

SMILES:
C(Cc1c(O)cc(CCC)cc1O)=C(C)CCC1C(C)=CCCC1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -15.98

InChIKey:
LMMMBGRRAYJUCM-UHFFFAOYSA-N

ID: 74004

SMILES:
c1(C)c2c(cc(CCCC)c1)OC1(C)C2CC(C(C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.486

CB1 binding score: -16.645

InChIKey:
JBOFUJCCNFONMS-UHFFFAOYSA-N

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73984–74004 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