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
- 21147
- Core Entity Id
- 26692
- Source Entity Count
- 1
- Preferred Name
- Helibisabonol b
- Name En
- Pubchem Id
- 5317990
- Smiles Canonical
- CC1=CC(=C(C=C1O)C(C)C=CC(C(C)(C)O)O)O
- Molecular Formula
- C15H22O4
- Molecular Weight
- 266.3370
- Inchikey
- BJFUKZRDSLCCDK-WBUNEFDWSA-N
- Inchi
- InChI=1S/C15H22O4/c1-9(5-6-14(18)15(3,4)19)11-8-12(16)10(2)7-13(11)17/h5-9,14,16-19H,1-4H3/b6-5+/t9-,14-/m1/s1
- Isomeric Smiles
- CC1=CC(=C(C=C1O)[C@H](C)/C=C/[C@H](C(C)(C)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.1977
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.4970
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Helibisabonol B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Helibisabonol b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Helibisabonol b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
helibisabonol b
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028944
Npass
NPC156146
Tcmid
9298
Pub Chem
5317990
Tcmbank
TCMBANKIN040948
Etcm Ingredient
Helibisabonol B
Itcmdb Generated
ITX-INGREDIENT-EC80E5A5D236
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H22O4/c1-9(5-6-14(18)15(3,4)19)11-8-12(16)10(2)7-13(11)17/h5-9,14,16-19H,1-4H3/b6-5+/t9-,14-/m1/s1
Mol Wt
266.337
Smiles
CC1=CC(=C(C=C1O)C(C)C=CC(C(C)(C)O)O)O
Mol Log P
2.197720000000001
In Ch Ikey
BJFUKZRDSLCCDK-WBUNEFDWSA-N
Mol2 Path
/TCM_database/2007_3d_all/09299.mol2
Reference
1927
Num Hdonors
4
Drug Likeness
0.497
Num Hacceptors
4
Isomeric Smiles
CC1=CC(=C(C=C1O)[C@H](C)/C=C/[C@H](C(C)(C)O)O)O
Canonical Smiles
CC1=CC(=C(C=C1O)C(C)C=CC(C(C)(C)O)O)O
Molecular Weight
266.150
Molecular Weight
266.33 g/mol
Molecular Formula
C15H22O4
Molecular Formula
C15H22O4
Molecular Formula
C15H22O4
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.979
Quantitative Estimate Of Drug Likeness（Qed）
0.497