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
- 33997
- Core Entity Id
- 40986
- Source Entity Count
- 1
- Preferred Name
- Suaveolol
- Name En
- Pubchem Id
- 11975519
- Smiles Canonical
- CC(C)C1CCC2=C(C1O)CCC3C2(CCCC3(C)CO)C
- Molecular Formula
- C20H34O2
- Molecular Weight
- 306.4900
- Inchikey
- HKKHUNILUIYTQR-QOOKETHRSA-N
- Inchi
- InChI=1S/C20H34O2/c1-13(2)14-6-8-16-15(18(14)22)7-9-17-19(3,12-21)10-5-11-20(16,17)4/h13-14,17-18,21-22H,5-12H2,1-4H3/t14-,17-,18-,19-,20+/m0/s1
- Isomeric Smiles
- CC(C)[C@@H]1CCC2=C([C@H]1O)CC[C@@H]3[C@@]2(CCC[C@@]3(C)CO)C
- Cas Id
- Ob Score
- Mol Logp
- 4.3087
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Suaveolol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Suaveolol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
suaveolol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1S,2S,4bS,8R,8aR)-8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a,9,10-decahydrophenanthren-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,2S,4bS,8R,8aR)-8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a,9,10-decahydrophenanthren-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
蛇百子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHE BAI ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Wild Spikenard
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(1S,2S,4bS,8R,8aR)-8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a,9,10-decahydrophenanthren-1-ol蛇百子SHE BAI ZIWild Spikenard
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045036
Npass
NPC149464
Tcmid
20416
Pub Chem
11975519
Tcmbank
TCMBANKIN009503TCMBANKIN053266
Itcmdb Generated
ITX-INGREDIENT-F1D2404D475E
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H34O2/c1-13(2)14-6-8-16-15(18(14)22)7-9-17-19(3,12-21)10-5-11-20(16,17)4/h13-14,17-18,21-22H,5-12H2,1-4H3/t14-,17-,18-,19-,20+/m0/s1
Mol Wt
306.49
Smiles
CC(C)C1CCC2=C(C1O)CCC3C2(CCCC3(C)CO)C
Mol Log P
4.308700000000004
In Ch Ikey
HKKHUNILUIYTQR-QOOKETHRSA-N
Tcm Name
蛇百子
Tcm Name2
SHE BAI ZI
Mol2 Path
/TCM_database/2003_3d_all/7958.mol2
Reference
6
Num Hdonors
2
Tcm Name En
Wild Spikenard
Drug Likeness
0.746
Num Hacceptors
2
Isomeric Smiles
CC(C)[C@@H]1CCC2=C([C@H]1O)CC[C@@H]3[C@@]2(CCC[C@@]3(C)CO)C
Canonical Smiles
CC(C)C1CCC2=C(C1O)CCC3C2(CCCC3(C)CO)C
Herb Alias Names
(1S,2S,4bS,8R,8aR)-8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a,9,10-decahydrophenanthren-1-ol
Molecular Weight
306.5 g/mol
Molecular Formula
C20H34O2
Molecular Formula
C20H34O2
Num Rotatable Bonds
2