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
- 38845
- Core Entity Id
- 68432
- Source Entity Count
- 1
- Preferred Name
- 16alphah-17,19-ent-kauranediol
- Name En
- Pubchem Id
- 46210166
- Smiles Canonical
- CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)CO)C)CO
- Molecular Formula
- C20H34O2
- Molecular Weight
- 306.4900
- Inchikey
- BQTHAHCFODJOGN-BHNCTZQBSA-N
- Inchi
- InChI=1S/C20H34O2/c1-18(13-22)7-3-8-19(2)16(18)6-9-20-10-14(4-5-17(19)20)15(11-20)12-21/h14-17,21-22H,3-13H2,1-2H3/t14-,15+,16-,17+,18+,19-,20+/m1/s1
- Isomeric Smiles
- C[C@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@@H](C4)CO)C)CO
- Cas Id
- Ob Score
- Mol Logp
- 4.0001
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8090
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
16alphah-17,19-ent-kauranediol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
16alphah-17,19-ent-kauranediol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001801
Npass
NPC146137
Tcmid
12167
Pub Chem
46210166
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H34O2/c1-18(13-22)7-3-8-19(2)16(18)6-9-20-10-14(4-5-17(19)20)15(11-20)12-21/h14-17,21-22H,3-13H2,1-2H3/t14-,15+,16-,17+,18+,19-,20+/m1/s1
Mol Wt
306.49
Mol Log P
4.000100000000004
In Ch Ikey
BQTHAHCFODJOGN-BHNCTZQBSA-N
Num Hdonors
2
Drug Likeness
0.809
Num Hacceptors
2
Isomeric Smiles
C[C@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@@H](C4)CO)C)CO
Canonical Smiles
CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)CO)C)CO
Molecular Formula
C20H34O2
Num Rotatable Bonds
2