CAS RN: 110382-42-8
2,3-Dihydroheveaflavone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251213 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS110382-42-8
- Purity/Analytical Methods: >99.0%
110382-42-8 / 5-hydroxy-8-[2-hydroxy-5-[(2S)-5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]phenyl]-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
2,3-Dihydroheveaflavone | Podocarpus flavanone | 5-hydroxy-8-[2-hydroxy-5-[(2S)-5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]phenyl]-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
Basic Information
CAS
110382-42-8
Multi CAS
Yes
Molecular Formula
C33H26O10
Molecular Weight
582.600000
Exact Mass
582.152597
SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)C4=C(C=CC(=C4)[C@@H]5CC(=O)C6=C(C=C(C=C6O5)OC)O)O
InChI
InChI=1S/C33H26O10/c1-39-18-7-4-16(5-8-18)26-14-24(37)32-25(38)15-28(41-3)30(33(32)43-26)20-10-17(6-9-21(20)34)27-13-23(36)31-22(35)11-19(40-2)12-29(31)42-27/h4-12,14-15,27,34-35,38H,13H2,1-3H3/t27-/m0/s1
InChIKey
BZHLYSWNQTVRDR-MHZLTWQESA-N
Synonyms
2,3-Dihydroheveaflavone
Podocarpus flavanone
5-hydroxy-8-[2-hydroxy-5-[(2S)-5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]phenyl]-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
orb1683828
SCHEMBL27013675
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
28
Fraction Csp3
0.15
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
3
Molar refractivity
156.76
TPSA
144.89
LogP / Solubility
WLOGP
5.98
MLOGP
5.3
XLogP3
5.7
Consensus LogP
5.66
Log S (ESOL)
-7.3
Class (ESOL)
Insoluble
Log S (Ali)
-8.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.13
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6
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