Browse

Molecule Identifiers
Molecular Properties

ID: 63988

SMILES:
c1(O)cc2c(c(CC=C(CCC=C(C)C)C)c1O)OC(C)(C)C1C2C=C(CO)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -15.014

InChIKey:
QZDRMZMMIDKRDV-UHFFFAOYSA-N

ID: 63989

SMILES:
c1c(CC=C)c(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -16.376

InChIKey:
HBOUEPXBJVNCSM-UHFFFAOYSA-N

ID: 63990

SMILES:
C1(C(C)=C)C(c2c(O)cc(CCC)cc2O)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 63991

SMILES:
C1=C(C)C(OC(C)=O)CC2C(C)(C)Oc3cc(C(C)C(CC)OC(=O)CC)cc(OC)c3OC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 474.594

CB1 binding score: -15.379

InChIKey:
ZAQKMHUMHCBHGM-UHFFFAOYSA-N

ID: 63992

SMILES:
C(C1=CC2C(C(C)(C)Oc3cc(CCO)cc(O)c31)CCC2=C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -12.525

InChIKey:
UPKYUMCRJNAMFA-UHFFFAOYSA-N

ID: 63993

SMILES:
C1C(C(C)=CCCC(=CCc2cc(O)c(C)cc2O)C)COC1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.434

InChIKey:
OTSGEJBHNGPURD-UHFFFAOYSA-N

ID: 63994

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 63995

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(C(=C)C)CCC1(C)C(O)CC2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -15.478

InChIKey:
YIAUAGOPSXCCKX-UHFFFAOYSA-N

ID: 63996

SMILES:
O=C1c2cc(CCCCC)cc(O)c2C2=CC(C)(C)OC2(C)CC1=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -13.551

InChIKey:
VNLARWZZHUAAJJ-UHFFFAOYSA-N

ID: 63997

SMILES:
C=C(C1C2(C(=O)Oc3c(CCCCC)cc(O)cc32)C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.015

InChIKey:
VFTVHVQUBXRVBG-UHFFFAOYSA-N

ID: 63998

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C3CC2CC13

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -15.51

InChIKey:
JXRBFEGRUDMTLD-UHFFFAOYSA-N

ID: 63999

SMILES:
C(O)C1(CCCCC)Oc2c(c(O)cc(C)c2)C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -18.06

InChIKey:
SXEKBWCRFAZAIM-UHFFFAOYSA-N

ID: 64000

SMILES:
C(CCCc1cc(O)c2c(c1O)OC(C)(C)C1CCC(C)=CC12)Cc1ccccc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.566

CB1 binding score: -16.095

InChIKey:
NYHLFIDASZCPQF-UHFFFAOYSA-N

ID: 64001

SMILES:
C(O)C1(CCC(C)=CCc2c(O)c(C)cc(OC)c2)C(C(CC=C(C)C)O)C(=O)OC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 432.557

CB1 binding score: -13.749

InChIKey:
ZXEOOCUVBHBONU-UHFFFAOYSA-N

ID: 64002

SMILES:
C(CCc1ccccc1)C(=C)c1cc(O)c(C2C(C(C)(C)O)CCC(C)=C2)c(O)c1CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 474.685

CB1 binding score: -8.423

InChIKey:
IMALTFLHNVZEKX-UHFFFAOYSA-N

ID: 64003

SMILES:
C1=CC(C)(C)Oc2cc(CCCCCCC)cc(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -17.792

InChIKey:
DYIPCOWOGUNKGZ-UHFFFAOYSA-N

ID: 64004

SMILES:
C(CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -18.138

InChIKey:
CUNZWRHOBZASJY-UHFFFAOYSA-N

ID: 64005

SMILES:
C12CCC(C)CC1(O)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -15.667

InChIKey:
ZSWWKGOVYSCVDQ-UHFFFAOYSA-N

ID: 64006

SMILES:
C(C)(C1C(=O)C(O)c2c(cc(CCCCC)cc2O)O1)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.375

CB1 binding score: -15.047

InChIKey:
DRZHQMWACOIQPI-UHFFFAOYSA-N

ID: 64007

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1=C2C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -16.502

InChIKey:
UIWBTUKWLISVOS-UHFFFAOYSA-N

ID: 64008

SMILES:
C(=O)C1=CCC2c3c(cc(CCCCC)c(O)c31)OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -15.006

InChIKey:
YJRBZPZCVJQMOL-UHFFFAOYSA-N

3045304630473048304930503051
63988–64008 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