Browse

Molecule Identifiers
Molecular Properties

ID: 137971

SMILES:
C1(C)COc2cc(CCCCC)cc(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 220.312

CB1 binding score: -17.981

InChIKey:
UWGQWWRWOAVBSG-UHFFFAOYSA-N

ID: 137972

SMILES:
O=C(Oc1c(C)cc(O)c(CC=C(CCC=C(C)C)C)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -18.803

InChIKey:
PEAVXEHUMHXIHB-UHFFFAOYSA-N

ID: 137973

SMILES:
C(C)(=CCOc1ccc(C2C(C(=C)C)CCC(C)=C2)c(O)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -15.526

InChIKey:
WLBTWXGGGQTCAU-UHFFFAOYSA-N

ID: 137974

SMILES:
C1(C)(C)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 137975

SMILES:
Oc1c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.957

InChIKey:
ZSBGNUPOFUYDMQ-UHFFFAOYSA-N

ID: 137976

SMILES:
CC1CC2C(C(C)(C)Oc3c2cc(C)c(CCC(C)C)c3O)C(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -14.692

InChIKey:
KFTHNUSDKNHTEV-UHFFFAOYSA-N

ID: 137977

SMILES:
C1C(C)=CC(c2c(O)cc(CCC)cc2)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.416

CB1 binding score: -20.718

InChIKey:
RGRVRWPXYHVOQC-UHFFFAOYSA-N

ID: 137978

SMILES:
C1(C)=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 137979

SMILES:
O1c2c(c(O)cc(C(C)C(C)C(CC)C)c2)C=CC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -12.582

InChIKey:
NOUQPEALKRXTLA-UHFFFAOYSA-N

ID: 137980

SMILES:
CC(=O)OC1CC(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -17.944

InChIKey:
HTPNXIVNXAMVFM-UHFFFAOYSA-N

ID: 137981

SMILES:
O=CCCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -19.103

InChIKey:
ZIKPXWUDKOXYDN-UHFFFAOYSA-N

ID: 137982

SMILES:
C(CCO)Cc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -13.336

InChIKey:
ZIZUAOUFNAMSQE-UHFFFAOYSA-N

ID: 137983

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.445

CB1 binding score: -13.391

InChIKey:
DFCQHCFNLSUWHB-UHFFFAOYSA-N

ID: 137984

SMILES:
C(CC)CCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 137985

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 137986

SMILES:
C(Cc1cc(OC)c(O)c(C2C=C(C)CCC2C(=C)C)c1)CC=CCC=CCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.68

CB1 binding score: -14.719

InChIKey:
IRGPNONALPVDLK-UHFFFAOYSA-N

ID: 137987

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.199

InChIKey:
KZQMPOVSRAAPSF-UHFFFAOYSA-N

ID: 137988

SMILES:
c1(OC)cc(CCCCC)cc2c1C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.823

InChIKey:
GRLARWXSTOXAGR-UHFFFAOYSA-N

ID: 137989

SMILES:
Oc1cc(CCCCC)cc2c1C1C(CCC1(O)C)C([CH])(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -14.113

InChIKey:
YSEZDFPVEZRBBK-UHFFFAOYSA-N

ID: 137990

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: 137991

SMILES:
C(CCc1cc2c(c(O)c1)C1=C(CCC(C)=C1)C(C)(C)O2)C(C)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -11.789

InChIKey:
FGOOPDOXUJJCMZ-UHFFFAOYSA-N

◀6568656965706571657265736574▶
137971–137991 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