Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20377
- Core Entity Id
- 25829
- Source Entity Count
- 1
- Preferred Name
- Glochidone
- Name En
- Pubchem Id
- 13942832
- Smiles Canonical
- CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C=CC(=O)C5(C)C)C)C)C
- Molecular Formula
- C30H46O
- Molecular Weight
- 422.6970
- Inchikey
- FWBYBHVDDGVPDF-BHMAJAPKSA-N
- Inchi
- InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1
- Isomeric Smiles
- CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(C=CC(=O)C5(C)C)C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 8.0090
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.3910
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Glochidone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Glochidone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Glochidone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Glochidone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
毛果算盘子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MAO GUO SUAN PAN ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Hairypod Glochidion*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,11b,12,13,13a,13b-dodecahydro-1H-cyclopenta[a]chrysen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,11b,12,13,13a,13b-dodecahydro-1H-cyclopenta[a]chrysen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
6610-55-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
6610-55-5
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040761786
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040761786
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:67596
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:67596
Role
alias
Source
HERB_v2
Preferred
No
Name
CS-0024505
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-0024505
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-63782
Role
alias
Source
itcmdb_public
Preferred
No
Name
DA-63782
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-8931
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-8931
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N3951
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N3951
Role
alias
Source
HERB_v2
Preferred
No
Name
Lupa-1,20(29)-dien-3-one
Role
alias
Source
HERB_v2
Preferred
No
Name
Lupa-1,20(29)-dien-3-one
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
毛果算盘子MAO GUO SUAN PAN ZIHairypod Glochidion*(1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,11b,12,13,13a,13b-dodecahydro-1H-cyclopenta[a]chrysen-9-one6610-55-5AKOS040761786CHEBI:67596CS-0024505DA-63782FS-8931HY-N3951Lupa-1,20(29)-dien-3-one
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027982
Npass
NPC156081
Tcmid
8568
Tcm Id
20089
Pub Chem
13942832
Tcmbank
TCMBANKIN043343
Etcm Ingredient
Glochidone
Itcmdb Generated
ITX-INGREDIENT-EA5DFD257A30
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1
Mol Wt
422.6970000000002
Mol Log P
8.00900000000001
In Ch Ikey
FWBYBHVDDGVPDF-BHMAJAPKSA-N
Tcm Name
毛果算盘子
Tcm Name2
MAO GUO SUAN PAN ZI
Mol2 Path
/TCM_database/2007_3d_all/08569.mol2
Reference
4099, 5065
Num Hdonors
0
Tcm Name En
Hairypod Glochidion*
Drug Likeness
0.391
Num Hacceptors
1
Isomeric Smiles
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(C=CC(=O)C5(C)C)C)C)C
Canonical Smiles
CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C=CC(=O)C5(C)C)C)C)C
Herb Alias Names
6610-55-5(1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,11b,12,13,13a,13b-dodecahydro-1H-cyclopenta[a]chrysen-9-oneLupa-1,20(29)-dien-3-oneCHEBI:67596HY-N3951AKOS040761786FS-8931DA-63782CS-0024505
Molecular Weight
422.350
Molecular Weight
422.7 g/mol
Molecular Formula
C30H46O
Molecular Formula
C30H46O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.939
Quantitative Estimate Of Drug Likeness（Qed）
0.391