Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8760
- Core Entity Id
- 12905
- Source Entity Count
- 1
- Preferred Name
- 8alpha-hydroxyarborescin
- Name En
- Pubchem Id
- 21668645
- Smiles Canonical
- CC1C2C(CC3(C4(O3)CC=C(C4C2OC1=O)C)C)O
- Molecular Formula
- C15H20O4
- Molecular Weight
- 264.3210
- Inchikey
- NBEKTSRQPIJPOV-ROOSQCEWSA-N
- Inchi
- InChI=1S/C15H20O4/c1-7-4-5-15-11(7)12-10(8(2)13(17)18-12)9(16)6-14(15,3)19-15/h4,8-12,16H,5-6H2,1-3H3/t8-,9-,10+,11+,12-,14-,15+/m0/s1
- Isomeric Smiles
- C[C@H]1[C@@H]2[C@H](C[C@]3([C@@]4(O3)CC=C([C@@H]4[C@H]2OC1=O)C)C)O
- Cas Id
- Ob Score
- Mol Logp
- 1.4226
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4080
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
8-alpha-Hydroxyarborescin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
8alpha-hydroxyarborescin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
8alpha-hydroxyarborescin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
8-alpha-Hydroxyarborescin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013631
Tcmid
9795
Pub Chem
21668645
Etcm Ingredient
8-alpha-Hydroxyarborescin
Itcmdb Generated
ITX-INGREDIENT-67B895B0395B
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H20O4/c1-7-4-5-15-11(7)12-10(8(2)13(17)18-12)9(16)6-14(15,3)19-15/h4,8-12,16H,5-6H2,1-3H3/t8-,9-,10+,11+,12-,14-,15+/m0/s1
Mol Wt
264.321
Mol Log P
1.4226
In Ch Ikey
NBEKTSRQPIJPOV-ROOSQCEWSA-N
Num Hdonors
1
Drug Likeness
0.408
Num Hacceptors
4
Isomeric Smiles
C[C@H]1[C@@H]2[C@H](C[C@]3([C@@]4(O3)CC=C([C@@H]4[C@H]2OC1=O)C)C)O
Canonical Smiles
CC1C2C(CC3(C4(O3)CC=C(C4C2OC1=O)C)C)O
Molecular Weight
264.140
Molecular Formula
C15H20O4
Molecular Formula
C15H20O4
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.123
Quantitative Estimate Of Drug Likeness（Qed）
0.408