CAS RN: 1174017-37-8
Artoheterophyllin B
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250608 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1174017-37-8
- Purity/Analytical Methods: >99.0%
1174017-37-8 / 2,3,8,10-tetrahydroxy-9,11-bis(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
Artoheterophyllin B | Cyclorigidol | CHEMBL1096731
Basic Information
CAS
1174017-37-8
Multi CAS
Yes
Molecular Formula
C30H32O7
Molecular Weight
504.600000
Exact Mass
504.214803
SMILES
CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C(O2)C4=CC(=C(C=C4OC3C=C(C)C)O)O)CC=C(C)C)O)C
InChI
InChI=1S/C30H32O7/c1-14(2)7-9-17-26(33)18(10-8-15(3)4)29-25(27(17)34)28(35)24-23(11-16(5)6)36-22-13-21(32)20(31)12-19(22)30(24)37-29/h7-8,11-13,23,31-34H,9-10H2,1-6H3
InChIKey
MOPJKKUUKHCZPG-UHFFFAOYSA-N
Synonyms
Artoheterophyllin B
Cyclorigidol
CHEMBL1096731
2,3,8,10-tetrahydroxy-9,11-bis(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
orb1683118
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
16
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
4
Molar refractivity
143.65
TPSA
120.36
LogP / Solubility
WLOGP
6.7
MLOGP
5.93
XLogP3
7.4
Consensus LogP
6.68
Log S (ESOL)
-7.18
Class (ESOL)
Insoluble
Log S (Ali)
-8.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.1
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)
-1.04
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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