Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 32648
- Core Entity Id
- 39479
- Source Entity Count
- 1
- Preferred Name
- Sarpagine
- Name En
- Pubchem Id
- 102090391
- Smiles Canonical
- CC=C1CN2C3CC1C(C2CC4=C3NC5=C4C=C(C=C5)O)CO
- Molecular Formula
- C19H22N2O2
- Molecular Weight
- 310.3970
- Inchikey
- VTVQHYQGTTVKDE-CCUKBNNFSA-N
- Inchi
- InChI=1S/C19H22N2O2/c1-2-10-8-21-17-7-14-13-5-11(23)3-4-16(13)20-19(14)18(21)6-12(10)15(17)9-22/h2-5,12,15,17-18,20,22-23H,6-9H2,1H3/b10-2-/t12-,15+,17-,18-/m0/s1
- Isomeric Smiles
- C/C=C\1/CN2[C@H]3C[C@@H]1[C@H]([C@@H]2CC4=C3NC5=C4C=C(C=C5)O)CO
- Cas Id
- Ob Score
- Mol Logp
- 2.7296
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7100
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sarpagine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sarpagine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Sarpagine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sarpagine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
sarpagine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-Sarpagine
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-Sarpagine
Role
alias
Source
itcmdb_public
Preferred
No
Name
10,17-Sarpagandiol
Role
alias
Source
HERB_v2
Preferred
No
Name
10,17-Sarpagandiol
Role
alias
Source
itcmdb_public
Preferred
No
Name
482-68-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
482-68-8
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL498733
Role
alias
Source
TCMBank
Preferred
No
Name
Raupin
Role
alias
Source
HERB_v2
Preferred
No
Name
Raupin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Raupine
Role
alias
Source
HERB_v2
Preferred
No
Name
Raupine
Role
alias
Source
itcmdb_public
Preferred
No
Name
SARPAGINE [MI]
Role
alias
Source
HERB_v2
Preferred
No
Name
SARPAGINE [MI]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sarpagan-10,17-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sarpagan-10,17-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
Sarpagine
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-XD54MPV6VQ
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-XD54MPV6VQ
Role
alias
Source
HERB_v2
Preferred
No
Name
XD54MPV6VQ
Role
alias
Source
HERB_v2
Preferred
No
Name
XD54MPV6VQ
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZINC100204900
Role
alias
Source
TCMBank
Preferred
No
Name
16-Episarpagine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
16-episarpagine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(1S,12S,15E)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
102490-01-7
Role
alias
Source
HERB_v2
Preferred
No
Name
16-epi-sarpagine
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL3082055
Role
alias
Source
TCMBank
Preferred
No
Name
Sarpagan-10,17-diol, (16S)-
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-Sarpagine10,17-Sarpagandiol482-68-8CHEMBL498733RaupinRaupineSARPAGINE [MI]Sarpagan-10,17-diolUNII-XD54MPV6VQXD54MPV6VQZINC10020490016-Episarpagine(1S,12S,15E)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-ol102490-01-716-epi-sarpagineSCHEMBL3082055Sarpagan-10,17-diol, (16S)-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043191HBIN001896
Npass
NPC46354
Tcmid
193717011
Sym Map
SMIT17597SMIT15270
Tcm Id
122823860
Pub Chem
10209039112314883123148841336122851377953172005502044592554508909251346118528140964389319548891
Tcmbank
TCMBANKIN016596TCMBANKIN010088
Etcm Ingredient
Sarpagine16-Episarpagine
Itcmdb Generated
ITX-INGREDIENT-A1F2ACB99005ITX-INGREDIENT-FDDC6F0785CF
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C19H22N2O2/c1-2-10-8-21-17-7-14-13-5-11(23)3-4-16(13)20-19(14)18(21)6-12(10)15(17)9-22/h2-5,12,15,17-18,20,22-23H,6-9H2,1H3/b10-2-/t12-,15+,17-,18-/m0/s1
Mol Wt
310.397
Smiles
CC=C1CN2C3CC1C(C2CC4=C3NC5=C4C=C(C=C5)O)CO
Mol Log P
2.729600000000001
Version
v1,v2
In Ch Ikey
VTVQHYQGTTVKDE-CCUKBNNFSA-N
Suppress
0
Num Hdonors
3
Drug Likeness
0.71
Num Hacceptors
3
Isomeric Smiles
C/C=C\1/CN2[C@H]3C[C@@H]1[C@H]([C@@H]2CC4=C3NC5=C4C=C(C=C5)O)CO
Canonical Smiles
CC=C1CN2C3CC1C(C2CC4=C3NC5=C4C=C(C=C5)O)CO
Herb Alias Names
Sarpagan-10,17-diolRaupin10,17-SarpagandiolRaupine482-68-8UNII-XD54MPV6VQXD54MPV6VQ(+)-SarpagineSARPAGINE [MI]
Molecular Weight
310.170
Molecular Weight
310.4 g/mol
Molecule Formula
C19H22N2O2
Molecular Formula
C19H22N2O2
Molecular Formula
C19H22N2O2
Molecular Formula
C19H22N2O2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.990
Quantitative Estimate Of Drug Likeness（Qed）
0.710