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Molecule Identifiers
Molecular Properties

ID: 101368

SMILES:
CC1(C)C2CC=C(C)CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 101369

SMILES:
Cc1cccc(O)c1C1C(C(=C)C)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -18.764

InChIKey:
VCTOYXGKNMVKJN-UHFFFAOYSA-N

ID: 101370

SMILES:
O=C(C1C(c2cc(O)c(O)cc2)Oc2cc(CCCCC)cc(O)c21)CC=C(CCC=C(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.629

CB1 binding score: -15.384

InChIKey:
MEABGDHFKXPSRZ-UHFFFAOYSA-N

ID: 101371

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)CC(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.988

InChIKey:
SOJHVNJFTZELFD-UHFFFAOYSA-N

ID: 101372

SMILES:
c1(CCC)c2cc(CCCCC)cc1OC(C)(C)C1CC=C(C)CCC1C(C)(O)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.685

CB1 binding score: -16.608

InChIKey:
DWNLYWNNTSYIEG-UHFFFAOYSA-N

ID: 101373

SMILES:
CCCc1cc(O)c(C2C=C(C)CCC2C(=C)C)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.95

InChIKey:
YCGKZROQHXAHBE-UHFFFAOYSA-N

ID: 101374

SMILES:
c1c(C(C(CC(C)C)=O)O)c(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.967

InChIKey:
IFPJFQKQFWOJEX-UHFFFAOYSA-N

ID: 101375

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C(O)=O)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -20.052

InChIKey:
YOVRGSHRZRJTLZ-UHFFFAOYSA-N

ID: 101376

SMILES:
CC1(C)CCCC2(C)OC2C1Cc1c(O)cc(CCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -14.586

InChIKey:
XXQUVYVCSBPRET-UHFFFAOYSA-N

ID: 101377

SMILES:
c1(C)ccc2c(c1)OC(C)(C)C1C2CC(CO)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.192

InChIKey:
YXXHJFBRTMECCH-UHFFFAOYSA-N

ID: 101378

SMILES:
C1CC(C(C)=C)C(c2cc(CCCCC)cc(O)c2O)OC1CO

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -13.633

InChIKey:
VHFKXDMVSLBQDK-UHFFFAOYSA-N

ID: 101379

SMILES:
O(c1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(CCC=C(C)CO)O2)C(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.624

CB1 binding score: -16.711

InChIKey:
AHWLKFOYMIVLQY-UHFFFAOYSA-N

ID: 101380

SMILES:
c1(O)c2c(ccc1OC)C(=O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -12.523

InChIKey:
ARXOQTZYYQUXRT-UHFFFAOYSA-N

ID: 101381

SMILES:
O(C)c1c2c(c(OC)cc1CCCCC)OC(C)(C)C1C2CC(O)(C)C=C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -14.956

InChIKey:
CTXGCTQNGODCFF-UHFFFAOYSA-N

ID: 101382

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 101383

SMILES:
C(C)CCC(C)c1cc(C2C=C(C)CCC2C(C)=C)c(O)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.29

InChIKey:
KKVQZBVXCAKMLP-UHFFFAOYSA-N

ID: 101384

SMILES:
CC(C)C(Cc1c2c(ccc1O)OC(C)(C)C1C2C=C(CO)CC1)CCCO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -15.372

InChIKey:
BKGLGWVZHYJMKO-UHFFFAOYSA-N

ID: 101385

SMILES:
C1(C)C(=O)CC2C(C)(C)Oc3cc(C)c(CCC=CC)c(O)c3C12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -15.601

InChIKey:
WUMHKKBLYCOKPI-UHFFFAOYSA-N

ID: 101386

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1C=C(C)CCC=C(C)CCC=C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.68

CB1 binding score: -15.203

InChIKey:
AEELBDFONRSOLB-UHFFFAOYSA-N

ID: 101387

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 101388

SMILES:
C1C(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

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101368–101388 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