General Information of the Compound
Compound ID
CP0026383
Compound Name
(5Z)-7-Oxozeaenol
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Structure
Formula
C19H22O7
Molecular Weight
362.378
Canonical SMILES
COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O
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InChI
InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3-/t11-,15-,18+/m0/s1
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InChIKey
NEQZWEXWOFPKOT-BYRRXHGESA-N
Physicochemical Property
logP
1.6002
Rotatable Bonds
1
Heavy Atom Count
26
Polar Areas
113.29
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
26

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 9863776
SID: 14828358
ChEMBL ID
CHEMBL1077979