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Molecule Identifiers
Molecular Properties

ID: 75391

SMILES:
C1CC(C)C2C3C1c1c(cc(CCCCC)cc1O)OC3(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.693

InChIKey:
IUWHCFISYIOYIW-UHFFFAOYSA-N

ID: 75392

SMILES:
C1(C)(C=C)C2C(c3cc(O)c(C=O)c(CCCCC)c3OC1(C)C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.623

InChIKey:
YXHAJNTXUOIWJQ-UHFFFAOYSA-N

ID: 75393

SMILES:
C1(C)(C)C(=O)c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.322

CB1 binding score: -19.037

InChIKey:
WOUJHLUSTPDGBC-UHFFFAOYSA-N

ID: 75394

SMILES:
c1c2c(c3c(c1)-c1c(cc(CCCCC)cc1O)OC3(C)C)C(C)C(O)C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.5

CB1 binding score: -15.061

InChIKey:
PCQBGOWTBUBLPO-UHFFFAOYSA-N

ID: 75395

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)C(=O)C21O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -17.434

InChIKey:
SUIYHRSVQMWRDX-UHFFFAOYSA-N

ID: 75396

SMILES:
C1C(C)=CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C12O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.751

InChIKey:
UOSWLQIIJRKKSU-UHFFFAOYSA-N

ID: 75397

SMILES:
C(OC(=O)C)(C)c1c(C)cc(C)c(C2C(C(=C)C)CCC(C)=C2)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -14.087

InChIKey:
UGBNAFYKDAZNBH-UHFFFAOYSA-N

ID: 75398

SMILES:
C12=C(c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C)C1O)CCC2(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.476

CB1 binding score: -15.973

InChIKey:
KZDQPSAPBCIYBY-UHFFFAOYSA-N

ID: 75399

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.957

InChIKey:
OANGEIYPAQYPQV-UHFFFAOYSA-N

ID: 75400

SMILES:
CC(CCC=C(C)C)=CCc1c(CCCCC)cc2c(c1O)C1C(C(C)(O)CCC1C(C)C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 468.722

CB1 binding score: -14.427

InChIKey:
GDSTZHOMTPOLTN-UHFFFAOYSA-N

ID: 75401

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(O)(C)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -18.762

InChIKey:
ICMJYQRNULRNTK-UHFFFAOYSA-N

ID: 75402

SMILES:
C1(O)c2c(O)cc(CCCCC)cc2OC2(C)CC=C(C(CCC=C(C)C)C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -16.157

InChIKey:
NIHBQKJMGOGIIA-UHFFFAOYSA-N

ID: 75403

SMILES:
C(CC)CCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -12.009

InChIKey:
KXHPOLUHISSPFP-UHFFFAOYSA-N

ID: 75404

SMILES:
C12=C(CC(C)=C1)C(C)(C)Oc1c2c(O)cc(CCCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -13.785

InChIKey:
JKSATUUNKURFOD-UHFFFAOYSA-N

ID: 75405

SMILES:
CC12CC3C(C(C)(C)Oc4cc(C)cc(O)c43)C1CCC2C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -14.273

InChIKey:
HDSIWPAXGSTAIZ-UHFFFAOYSA-N

ID: 75406

SMILES:
C(=CCc1c(O)c2c(c3c1CC(C)(C)O3)CC=C(C)C)OC(C)(C)C1C2C=C(COC=O)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.618

CB1 binding score: -12.36

InChIKey:
XJMWCPQAVNCAIS-UHFFFAOYSA-N

ID: 75407

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2(OC)C=C(C)C1(O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.439

CB1 binding score: -15.325

InChIKey:
YOTCBFMFSISPMI-UHFFFAOYSA-N

ID: 75408

SMILES:
C(Cc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -20.03

InChIKey:
LXMICYYYVWWGAM-UHFFFAOYSA-N

ID: 75409

SMILES:
C1C(C)(O)C2(C(C)(C)CC1)c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -15.685

InChIKey:
ZVCDUECPKJPRBP-UHFFFAOYSA-N

ID: 75410

SMILES:
C1(C)=CCCC(=C)C2C(CC1)C(C)(C)Oc1c(C)cc(OC)cc12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -15.582

InChIKey:
QGNAVZJTPSYROY-UHFFFAOYSA-N

ID: 75411

SMILES:
Oc1c(CCCCC)ccc2c1C1C(C(C)(C)O2)CCC(C)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -15.872

InChIKey:
ZZQISDWTJKVPKU-UHFFFAOYSA-N

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75391–75411 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