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Molecule Identifiers
Molecular Properties

ID: 58318

SMILES:
C1C2(C)C3C(c4c(O)cc(CCCCC)cc4OC3(C)CC1)C(C(=C)C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -15.415

InChIKey:
YGXQLBQHJWIWTI-UHFFFAOYSA-N

ID: 58319

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 58320

SMILES:
c12c(c(OC)cc(CCCCC)c1)OC(C)(C)C1CC=C(CCC=C(C)C)C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -14.52

InChIKey:
WFSXPBLFGLZQEZ-UHFFFAOYSA-N

ID: 58321

SMILES:
C1(C)=CC2C(CCC1(O)C)C(C)(C)Oc1c2cc(O)cc1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.704

InChIKey:
POXRJANOXMCCCQ-UHFFFAOYSA-N

ID: 58322

SMILES:
C(=CC1c2c(O)cc(CCCCC)cc2OC(C)(C)C1O)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -12.726

InChIKey:
URHVHYNZQHNDQB-UHFFFAOYSA-N

ID: 58323

SMILES:
C(CCc1cc(C2C(C(C)C)CCC(C)C2)cc(OC)c1)CCl

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.947

CB1 binding score: -15.287

InChIKey:
OCHRLSYIYMDALR-UHFFFAOYSA-N

ID: 58324

SMILES:
O(C)C(CCC1C(C)(C)C2CC1(C(C)=C)c1cc(O)cc(CCCCC)c12)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -14.239

InChIKey:
KMZLMHVBRUUHCG-UHFFFAOYSA-N

ID: 58325

SMILES:
C1C(C(C)C)C(c2c(O)cc(CCC)cc2O)OC(C)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.446

CB1 binding score: -15.178

InChIKey:
UXUAVIWXMUHXRG-UHFFFAOYSA-N

ID: 58326

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.854

InChIKey:
OZYYEDPTJXVZJQ-UHFFFAOYSA-N

ID: 58327

SMILES:
O(C)c1cc(CCCCC)cc2c1C1C(=O)C3C(=O)OC24C(C(C)(CC)C3)C1C(C(C)(C)O4)CC(O)=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 512.643

CB1 binding score: -16.751

InChIKey:
DNLDKKVPXIBOOF-UHFFFAOYSA-N

ID: 58328

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C(O)=O)=CC21)(O)C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -15.901

InChIKey:
HSCYQUXKYZKXIR-UHFFFAOYSA-N

ID: 58329

SMILES:
C(Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -18.354

InChIKey:
OJTMRZHYTZMJKX-UHFFFAOYSA-N

ID: 58330

SMILES:
C(CC)CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.964

InChIKey:
DMJVNNFBMZZLFB-UHFFFAOYSA-N

ID: 58331

SMILES:
C(CCCCC)c1cc2c(c(O)c1)C1=C(C(C)(CCC=C(C)C)C(=O)O2)CCC(C=O)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.592

CB1 binding score: -14.077

InChIKey:
BDXYZFUOUZJFTF-UHFFFAOYSA-N

ID: 58332

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 58333

SMILES:
C1C(CCC=C(C)C)(C)Oc2c(c(O)cc(CCC)c2)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -15.961

InChIKey:
XNJZGZKQILOBLQ-UHFFFAOYSA-N

ID: 58334

SMILES:
C1C2C(C)(Oc3c(c(O)cc(CCCCC)c3)C2=O)CC=C1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -15.12

InChIKey:
GWJIQQBULTUACM-UHFFFAOYSA-N

ID: 58335

SMILES:
OC1C2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2CC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.567

InChIKey:
URRJUSLCXVXZOX-UHFFFAOYSA-N

ID: 58336

SMILES:
C1C(C)=CC(c2c(O)cccc2C)C(C(C)=C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -18.764

InChIKey:
VCTOYXGKNMVKJN-UHFFFAOYSA-N

ID: 58337

SMILES:
c1(O)c2c(c(OO)cc1)C1C(C(C)(C)O2)CC=C(C)C1OC(=O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.368

CB1 binding score: -15.225

InChIKey:
ZCMVFUZVMLPTAT-UHFFFAOYSA-N

ID: 58338

SMILES:
c1(C2C(O)C(CO)OC2CO)cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.476

CB1 binding score: -16.502

InChIKey:
DKKSYAQBKLBSCC-UHFFFAOYSA-N

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58318–58338 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