Browse

Molecule Identifiers
Molecular Properties

ID: 141856

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -14.291

InChIKey:
BXVYNUDRRRHXDA-UHFFFAOYSA-N

ID: 141857

SMILES:
CC(C(=O)c1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c(C)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -15.31

InChIKey:
IOKLBJNJPLEOAO-UHFFFAOYSA-N

ID: 141858

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(O)(C)C=C21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.792

InChIKey:
XIJZXVKTYPXYMR-UHFFFAOYSA-N

ID: 141859

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 141860

SMILES:
CC12CCC3C(C)(C)Oc4c(c(O)cc(C)c4)C3C1C(=O)c1c(cc(O)c(O)c1)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.466

CB1 binding score: -13.304

InChIKey:
LMHNFFUJHLPKBO-UHFFFAOYSA-N

ID: 141861

SMILES:
C(Cc1c(O)c(C2C=C(C)CCC2C(C)=C)c(OC)cc1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.593

InChIKey:
SSBDCOAOUVLLBG-UHFFFAOYSA-N

ID: 141862

SMILES:
O=C(CC)Oc1cc(CCCCC)cc2c1C1(C(C(CO)=C)CCC(C)(CCC=C(C)C)O1)CO2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.677

CB1 binding score: -14.825

InChIKey:
ZXLBRIOBDQUOBC-UHFFFAOYSA-N

ID: 141863

SMILES:
O(C1=Cc2c(O)cc(CCCCC)cc2OC1(C)C)C1OC(CO)C(O)C(O)C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.49

CB1 binding score: -15.759

InChIKey:
ZOIFPWYHSKCINW-UHFFFAOYSA-N

ID: 141864

SMILES:
C12c3c(O)cc(C)cc3OC(C)(C)C1CCCC2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -17.115

InChIKey:
SWWJISQYLZHBTO-UHFFFAOYSA-N

ID: 141865

SMILES:
C1CC(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)CC1(C=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -16.735

InChIKey:
FMARVNBHFUIUNJ-UHFFFAOYSA-N

ID: 141866

SMILES:
Cc1cc(O)cc(CCCCCl)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 198.693

CB1 binding score: -12.769

InChIKey:
HPPRYXLNAFXVTP-UHFFFAOYSA-N

ID: 141867

SMILES:
C1=C(C)CCC2C(C)(C)Oc3c(c(O)c(OC)cc3C(CCCC)O)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -16.234

InChIKey:
UJSNVDFVDJVVRM-UHFFFAOYSA-N

ID: 141868

SMILES:
C(CC1C2(c3c(cc(CCCCC)cc3O)OC2(C)C)C(C=C(C)C)CC1C)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.696

CB1 binding score: -15.519

InChIKey:
HKIISGZDNMYTQG-UHFFFAOYSA-N

ID: 141869

SMILES:
C1(C)(O)CCC2C(C)(C)Oc3cc(CCC)cc4c3C(C(=O)C(=C)C42)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -13.512

InChIKey:
QQBPHUFPLREUPV-UHFFFAOYSA-N

ID: 141870

SMILES:
C12C(C)(CCC(C)=C1C)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -16.13

InChIKey:
UATCZDWUWPPDJK-UHFFFAOYSA-N

ID: 141871

SMILES:
C1CC(C)=CC(c2c(O)cc(CCCCC)cc2O)C1C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 141872

SMILES:
c1cc(C2C(C(=C)C)CCC(C)=C2)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.767

InChIKey:
FFUBTKRHDZNPRU-UHFFFAOYSA-N

ID: 141873

SMILES:
C1C=C(C)CC1c1c(O)c(C(=O)O)c(CCCCC)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -13.837

InChIKey:
ZGRXPBQIHANLIH-UHFFFAOYSA-N

ID: 141874

SMILES:
C1(C)=CC2c3c(ccc(CCCCC)c3)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -19.248

InChIKey:
ULSCPFQNHAPIEH-UHFFFAOYSA-N

ID: 141875

SMILES:
C1(C)=CCCC(C)=CC2c3c(c(CCCCC)cc(O)c3)OC2(C)CCC(C(C)(C)O)OC(C)=CC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 496.732

CB1 binding score: -14.605

InChIKey:
OTPWHRAHHNYBHW-UHFFFAOYSA-N

ID: 141876

SMILES:
C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(C)(O)C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.257

InChIKey:
KETCUGMUWAEENN-UHFFFAOYSA-N

◀6753675467556756675767586759▶
141856–141876 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